data_2dgp_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 2dgp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.8 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.927 0.394 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 14.5 ttmm -86.42 94.2 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.46 121.37 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -94.69 114.3 26.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.1 mm -101.72 137.17 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.08 175.53 20.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 72.22 42.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.3 mt -125.65 134.29 25.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.98 67.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -86.73 41.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.96 6.77 6.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -100.14 178.9 4.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -140.13 154.89 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.472 ' CG ' HG23 ' A' ' 85' ' ' VAL . 27.0 mt-10 -58.73 -38.15 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 34.2 mtmm -73.05 -10.83 60.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.1 -20.2 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 29.9 mt -100.66 -37.76 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.623 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -55.41 -43.43 99.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.889 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.99 -63.16 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.4 mt -43.63 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE1' ' CD1' ' A' ' 115' ' ' LEU . 78.4 m-85 -49.62 -42.53 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' N ' HD13 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -50.9 -37.74 45.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -64.27 -25.65 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -91.87 -44.61 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.2 160.24 26.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -80.49 74.32 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.474 HD13 ' N ' ' A' ' 75' ' ' GLU . 67.5 mt -43.57 139.56 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.473 ' N ' HG23 ' A' ' 80' ' ' ILE . 48.5 t80 -102.69 -38.67 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -157.15 134.97 10.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.7 tp -126.06 135.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 m -141.7 127.5 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.472 HG23 ' CG ' ' A' ' 67' ' ' GLU . 59.5 t -97.39 109.2 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' A' ' 99' ' ' PHE . 46.2 mt -49.52 103.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -136.13 105.13 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -63.55 168.96 4.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -117.77 -0.58 11.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -105.89 -71.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.2 t -127.33 -32.07 2.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.74 39.38 2.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.434 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -33.86 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.848 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' GLY . 49.4 t-80 -151.27 110.54 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.6 mttp -83.34 35.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.23 44.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 27.2 p -161.66 172.94 15.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.15 152.69 26.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.548 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 5.8 m-85 -103.7 135.26 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' A' ' 102' ' ' TYR . 24.3 tp -126.79 140.96 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.7 m -126.21 114.88 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CE2' HD21 ' A' ' 100' ' ' LEU . 9.1 m-85 -91.52 135.43 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 p -55.92 -51.18 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -97.29 132.35 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -58.57 -51.28 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -54.43 -54.93 34.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.0 t -38.97 -58.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.49 -50.08 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.3 mt -49.6 -46.79 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -55.8 -65.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.86 -34.81 42.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -59.27 -63.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -68.88 -22.84 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.29 -34.91 55.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 37.5 mt -95.37 -54.84 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' GLU . 60.2 t60 -34.88 137.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' HIS . 11.6 mm-40 34.63 37.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -125.71 -41.3 2.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -114.04 142.11 46.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.6 m -127.51 109.84 12.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.93 150.41 77.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.589 0.709 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.381 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.14 -21.74 12.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mmm -102.63 114.52 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -54.86 -34.22 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -98.2 154.21 37.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 -178.44 2.32 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 tt -85.94 129.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.87 118.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.77 142.15 15.25 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.45 45.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.887 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.16 98.56 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.411 HD22 ' CD ' ' A' ' 112' ' ' GLN . 35.4 mt -76.19 133.41 40.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -104.73 121.34 43.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 130' ' ' VAL . 12.0 mm -106.63 134.65 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.35 -178.27 15.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 55.85 53.28 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.6 mt -124.22 128.39 25.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.457 ' HD3' ' CG ' ' A' ' 124' ' ' MET . 53.8 Cg_endo -69.76 162.82 40.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.507 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 15.8 ttm180 -88.63 42.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -127.16 6.35 6.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.5 mt -100.41 166.0 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -139.89 153.72 47.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -52.23 -37.36 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -79.18 -15.65 57.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.57 -1.57 32.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.8 mt -118.09 -25.05 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.9 ttmp? -62.41 -43.05 83.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.96 -62.58 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -43.76 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.485 ' CG ' HD22 ' A' ' 100' ' ' LEU . 65.6 m-85 -52.5 -60.64 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -39.19 -43.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -61.38 -38.08 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 16.8 m-85 -77.5 -44.48 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.21 164.32 26.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -80.36 82.13 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' A' ' 81' ' ' TYR . 97.4 mt -40.2 162.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.513 ' N ' ' CG2' ' A' ' 80' ' ' ILE . 37.6 t80 -131.95 -35.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -166.73 114.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.5 tp -101.98 135.97 42.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -139.39 122.17 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.9 t -96.44 97.42 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 ' HB3' ' CD ' ' A' ' 95' ' ' LYS . 48.3 mt -39.03 113.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -139.98 111.79 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.03 179.57 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -127.22 9.05 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.35 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.448 HG21 ' N ' ' A' ' 92' ' ' GLY . 9.9 t -121.2 -36.18 3.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.19 41.34 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' GLY . 3.2 ttm -33.79 -60.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.507 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 62.5 t-80 -124.47 82.86 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' CD ' ' HB3' ' A' ' 86' ' ' LEU . 60.1 mttt -49.5 151.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.12 48.7 3.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p -174.2 170.18 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.01 156.72 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.0 128.12 53.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 102' ' ' TYR . 13.1 tp -121.5 134.39 55.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -119.38 110.56 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CE2' HD23 ' A' ' 100' ' ' LEU . 6.2 m-85 -86.21 131.97 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.1 t -46.69 -55.55 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -98.37 163.31 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -83.67 -57.52 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -44.94 -56.88 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -46.24 -53.71 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -43.79 -37.44 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.24 -53.52 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.56 -50.94 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.77 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.411 ' CD ' HD22 ' A' ' 56' ' ' LEU . 27.3 mt-30 -64.22 -56.34 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.7 m -74.72 -8.26 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.19 -23.9 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.407 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -105.94 -48.09 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -47.51 117.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 45.6 47.09 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -130.59 -43.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -123.98 142.22 51.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.6 m -111.06 119.91 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.71 148.57 98.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.9 -17.15 13.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.457 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 70.9 mmm -110.16 125.23 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 125' ' ' ASN . 7.9 t-20 -60.92 -35.91 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -97.54 158.33 33.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -177.51 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.4 tt -90.76 131.66 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -102.74 125.15 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 58' ' ' ILE . 58.0 t -126.01 115.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -143.21 142.22 21.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' ALA . 53.4 Cg_endo -69.76 111.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.3 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.911 0.386 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.557 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 11.4 ttmm -93.75 85.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.55 122.61 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.42 123.18 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.425 HG23 ' CD1' ' A' ' 61' ' ' ILE . 17.3 mm -108.82 134.37 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.424 ' C ' ' OE1' ' A' ' 60' ' ' GLN . . . -126.16 -174.5 13.88 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 59' ' ' GLY . 24.0 mp0 54.65 53.96 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CG2' HD11 ' A' ' 65' ' ' LEU . 80.7 mt -134.79 127.33 18.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 151.74 69.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 40.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -119.85 0.99 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 61' ' ' ILE . 37.5 mt -100.21 172.59 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.07 159.31 42.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.05 -33.29 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -71.7 -14.24 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.17 -15.93 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.6 mt -98.86 -40.48 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 31.9 tttp -56.28 -43.24 99.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.4 Cg_exo -47.97 -63.35 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.403 HD12 ' NZ ' ' A' ' 119' ' ' LYS . 46.7 mt -42.89 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -49.01 -44.54 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.472 ' N ' HD13 ' A' ' 80' ' ' ILE . 51.5 tt0 -52.35 -32.78 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -67.88 -30.83 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -87.22 -44.18 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.96 160.4 26.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -80.17 81.23 6.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 75' ' ' GLU . 50.9 mt -44.42 142.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.457 ' N ' HG22 ' A' ' 80' ' ' ILE . 5.5 t80 -103.66 -34.27 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -170.74 114.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.4 tp -97.4 145.21 26.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -149.7 116.15 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.7 t -96.8 104.11 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 99' ' ' PHE . 25.7 mt -45.05 101.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -133.37 107.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.413 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.2 t70 -63.73 177.98 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -128.58 -2.14 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -106.66 -64.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -134.36 -33.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.03 39.89 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 43.3 mmm -35.23 -39.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -149.2 119.03 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' GLY . 17.7 mtpp -91.27 36.5 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 36.41 47.88 1.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 p -170.44 176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -162.93 151.28 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 86' ' ' LEU . 5.9 m-85 -102.7 124.48 48.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.1 tp -109.13 134.87 51.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.7 m -122.18 115.64 22.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 2.6 m-85 -96.21 160.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.4 p -82.42 -46.66 13.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -109.93 124.37 51.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -48.87 -57.48 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -42.05 -49.42 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.9 m -54.07 -46.28 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -53.27 -47.3 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.53 -63.47 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -40.04 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.66 -28.9 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.23 -59.86 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -78.33 -25.89 46.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.35 -14.39 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.4 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 32.9 mt -115.84 -44.1 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -45.48 121.62 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 42.9 34.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.49 -42.79 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 120' ' ' THR . 26.9 ttmt -111.85 149.86 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.433 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 28.1 m -130.18 114.91 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.14 151.2 97.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.96 -23.29 10.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.8 mmm -103.36 121.46 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.37 -35.84 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.32 153.22 39.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -176.57 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.4 tt -92.55 140.37 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -108.68 131.93 54.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 58' ' ' ILE . 36.2 t -131.87 113.14 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.68 142.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 114.68 3.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.892 0.377 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.536 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 36.6 ttpt -72.38 90.42 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.0 mt -73.76 125.36 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.97 131.48 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 130' ' ' VAL . 7.3 mm -115.38 137.75 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.77 179.99 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 59.43 54.19 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 58' ' ' ILE . 65.4 mt -126.95 122.95 23.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.42 66.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.513 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 26.0 ttm180 -79.92 43.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.78 1.36 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' A' ' 61' ' ' ILE . 72.3 mt -100.64 167.85 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.08 151.53 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.21 -38.04 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 7.2 mtmp? -71.3 -24.4 62.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.409 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -93.48 -19.39 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.429 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.5 mt -93.61 -38.82 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.2 tttt -54.6 -43.63 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.554 0.692 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.2 Cg_exo -48.02 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.297 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.6 mt -42.98 -71.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 76' ' ' GLU . 72.6 m-85 -49.58 -59.9 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 74' ' ' PHE . 26.9 mm-40 -36.0 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' PHE . 4.5 tp10 -71.51 -51.14 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 44.0 m-85 -71.63 -43.95 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.75 156.32 25.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' ILE . 6.2 ttpt -80.21 78.32 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 76.1 mt -36.19 146.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.453 ' N ' HG23 ' A' ' 80' ' ' ILE . 16.2 t80 -108.2 -35.82 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -167.84 112.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.9 tp -99.64 137.83 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.7 m -145.6 119.7 9.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.11 132.04 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.438 ' CD1' ' SG ' ' A' ' 97' ' ' CYS . 69.1 mt -84.64 101.63 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -140.07 142.38 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 5.4 t0 -89.15 179.01 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -131.24 0.69 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -110.38 -67.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.2 t -129.17 -36.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.415 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -79.47 40.4 2.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.5 mtm -53.97 101.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.513 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 16.0 t-80 63.95 54.97 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -31.09 -64.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.05 36.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.438 ' SG ' ' CD1' ' A' ' 86' ' ' LEU . 26.5 p -151.62 175.15 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.45 156.97 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.536 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 4.7 m-85 -107.49 134.24 50.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.569 HD22 ' CE2' ' A' ' 102' ' ' TYR . 19.1 tp -127.09 120.85 29.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.6 m -105.33 111.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CE2' HD22 ' A' ' 100' ' ' LEU . 7.2 m-85 -89.94 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 24.5 p -60.54 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -101.01 151.45 21.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -77.41 -55.18 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -50.21 -48.67 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.0 m -52.62 -51.85 58.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.39 -45.86 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.2 mt -52.63 -60.36 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 37.5 mttm -38.75 -62.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.29 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.86 -60.02 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -76.34 -25.41 54.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.74 -23.41 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -106.29 -44.57 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -47.39 124.52 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 43.84 33.31 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -121.38 -47.07 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -104.45 151.86 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.0 m -131.39 92.79 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 75.6 mt -41.62 150.8 0.33 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.59 27.91 8.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.5 mmm -140.01 112.61 7.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -52.37 -38.78 59.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -100.15 155.54 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.0 tt -97.64 130.19 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.91 138.51 33.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 58' ' ' ILE . 74.5 t -143.14 124.63 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -156.28 152.95 24.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ALA . 54.0 Cg_endo -69.76 104.27 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.886 0.374 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.5 ' HD2' ' CD1' ' A' ' 99' ' ' PHE . 7.9 ttpm? -88.76 99.81 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 HD23 ' NE2' ' A' ' 112' ' ' GLN . 21.1 mt -73.74 119.42 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -91.02 125.01 35.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.427 ' CD1' HG12 ' A' ' 130' ' ' VAL . 14.3 mm -108.71 137.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.57 176.73 18.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 62.01 52.11 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.8 mt -127.26 126.17 24.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 154.34 67.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.36 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.438 ' CB ' ' CG ' ' A' ' 94' ' ' HIS . 6.0 ptp180 -81.27 41.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -122.59 2.41 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.9 mt -100.37 170.27 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -140.12 151.82 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CG ' HG21 ' A' ' 85' ' ' VAL . 37.2 mt-10 -53.65 -34.06 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 42.3 mttp -71.05 -20.38 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.79 -17.86 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.2 mt -93.95 -42.68 8.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 62.3 tttt -55.2 -43.37 99.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.96 -63.01 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.5 mt -41.86 -72.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.444 ' CE1' HD12 ' A' ' 115' ' ' LEU . 74.3 m-85 -49.13 -52.26 27.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HG2' ' CD1' ' A' ' 80' ' ' ILE . 15.8 mm-40 -39.18 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.8 mt-10 -70.99 -49.83 40.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -71.81 -43.69 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.458 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.36 153.79 23.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -80.22 79.2 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.449 HD12 ' CG ' ' A' ' 71' ' ' LYS . 53.7 mt -39.8 149.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.12 -35.74 5.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -162.7 113.07 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.89 137.72 38.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 m -145.14 121.73 11.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG21 ' CG ' ' A' ' 67' ' ' GLU . 40.7 t -96.12 109.13 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' A' ' 99' ' ' PHE . 35.6 mt -53.41 104.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -139.91 128.03 22.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -73.17 -178.96 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -133.37 2.59 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.21 -63.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -131.91 -31.65 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.98 40.72 2.33 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.44 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 15.3 ptt? -34.45 -43.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.438 ' CG ' ' CB ' ' A' ' 63' ' ' ARG . 49.0 t-80 -148.69 107.12 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -67.98 -57.82 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 135.33 39.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.5 p -168.83 173.63 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.58 153.07 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.525 ' CE2' HD11 ' A' ' 86' ' ' LEU . 3.4 m-85 -104.18 126.25 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.566 HD23 ' CE2' ' A' ' 102' ' ' TYR . 23.4 tp -114.5 148.46 37.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.1 m -133.26 107.34 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CE2' HD23 ' A' ' 100' ' ' LEU . 3.5 m-85 -90.87 127.98 36.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 p -49.8 -46.95 51.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -102.11 161.22 13.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -85.34 -56.53 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.91 -47.83 52.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.7 p -52.17 -34.92 47.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.36 -49.09 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 6.2 mtpm? -52.59 -56.39 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.67 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.416 ' NE2' HD23 ' A' ' 56' ' ' LEU . 25.8 mt-30 -60.95 -58.94 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 t -76.62 -21.9 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -78.23 -21.2 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.444 HD12 ' CE1' ' A' ' 74' ' ' PHE . 37.3 mt -109.52 -49.75 3.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -45.64 126.36 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 39.21 38.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.31 -44.78 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 120' ' ' THR . 11.4 ttmt -119.65 148.02 43.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 26.9 m -125.62 110.51 13.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.04 149.89 80.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.9 6.78 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.1 -24.56 9.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.4 mmm -102.8 118.21 36.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -57.16 -32.63 66.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.71 154.79 37.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -178.9 2.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.26 . . . . 0.0 112.318 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.8 tt -91.66 136.46 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -101.13 140.94 34.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.427 HG12 ' CD1' ' A' ' 58' ' ' ILE . 44.3 t -142.52 119.77 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -151.36 152.94 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.555 0.693 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.76 5.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.889 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.941 0.4 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 17.4 ttmm -90.62 88.84 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' A' ' 108' ' ' ALA . 66.2 mt -73.4 122.16 21.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -94.41 134.12 37.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 61' ' ' ILE . 9.6 mm -118.12 125.07 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.31 -176.88 19.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.414 ' HG3' ' CE ' ' A' ' 124' ' ' MET . 5.1 tp60 54.71 52.6 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 58' ' ' ILE . 90.3 mt -121.17 118.66 30.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.21 63.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.495 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 42.8 ttp85 -80.01 41.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -126.37 4.59 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' A' ' 61' ' ' ILE . 84.7 mt -100.68 179.84 4.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -140.77 165.79 26.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HG2' ' CD2' ' A' ' 83' ' ' LEU . 3.3 tt0 -70.7 -37.97 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 46.8 mttt -80.9 -14.08 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -92.29 -20.35 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.0 mt -98.26 -32.05 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.627 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 71.9 tttt -58.66 -42.71 95.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.1 Cg_exo -48.01 -63.36 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.6 mt -43.91 -72.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.451 ' CG ' HD21 ' A' ' 100' ' ' LEU . 77.5 m-85 -49.55 -38.73 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.489 ' N ' HD12 ' A' ' 80' ' ' ILE . 81.6 tt0 -59.61 -33.69 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -66.9 -26.26 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -91.77 -43.21 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.3 161.6 26.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.92 75.72 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 75' ' ' GLU . 71.3 mt -37.98 149.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.157 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -106.69 -45.61 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -165.95 112.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.482 ' CD2' ' HG2' ' A' ' 67' ' ' GLU . 42.9 tp -95.64 151.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.0 m -156.34 116.8 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.44 128.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 99' ' ' PHE . 76.8 mt -76.8 98.92 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -138.39 110.08 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.404 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -49.71 179.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -129.82 -0.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -111.39 -70.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 92' ' ' GLY . 9.8 t -129.67 -28.0 2.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -81.22 34.29 2.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.1 mmm -53.13 101.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 11.4 t-80 74.21 55.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' HIS . 15.6 mttm -31.74 -60.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.52 36.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.2 p -163.56 174.86 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.47 144.6 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.55 ' CE2' HD13 ' A' ' 86' ' ' LEU . 6.9 m-85 -100.32 132.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 102' ' ' TYR . 17.5 tp -124.75 152.72 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.8 m -132.89 125.23 29.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.541 ' CE2' HD22 ' A' ' 100' ' ' LEU . 16.8 m-85 -99.61 141.69 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.7 t -44.59 -53.3 7.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -113.07 155.97 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -65.54 -61.59 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -43.79 -56.55 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.0 m -40.29 -59.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.459 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -40.15 -50.77 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -47.08 -55.18 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -41.91 -70.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.45 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -60.1 -55.4 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.1 m -77.21 -28.96 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.82 -14.13 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.1 mt -112.85 -48.05 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -44.63 132.29 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 40.0 36.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.82 -41.42 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -116.5 149.04 40.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.2 m -121.52 100.25 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.6 mt -46.99 152.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.24 11.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.55 30.05 22.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.414 ' CE ' ' HG3' ' A' ' 60' ' ' GLN . 70.3 mmm -140.01 115.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -55.9 -38.3 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -100.14 159.07 30.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.548 0.689 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -174.53 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.7 tt -93.5 134.17 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -98.26 129.63 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.422 HG12 ' CD1' ' A' ' 58' ' ' ILE . 57.7 t -135.99 112.98 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -146.17 152.85 47.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.92 12.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.919 0.39 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.57 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -73.01 98.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.561 HD13 ' CD1' ' A' ' 102' ' ' TYR . 40.4 mt -85.72 117.65 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.46 124.55 34.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 130' ' ' VAL . 11.5 mm -108.9 136.93 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.61 179.29 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 127' ' ' PRO . 0.3 OUTLIER 68.3 42.42 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.436 HG12 ' CD1' ' A' ' 121' ' ' LEU . 46.4 mt -124.62 132.11 24.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 158.08 58.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.748 ' NE ' ' H ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -84.57 42.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -126.07 4.8 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.2 mt -100.62 175.12 5.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.31 179.4 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -74.61 -43.01 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -73.97 -12.2 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -98.16 -13.39 20.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.8 mt -110.74 -28.32 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 18.2 tttm -55.85 -44.34 99.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.7 Cg_exo -48.0 -63.27 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' PRO . 81.7 mt -37.7 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 76' ' ' GLU . 44.5 m-85 -54.55 -58.47 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CD ' ' HG2' ' A' ' 71' ' ' LYS . 9.7 mt-10 -36.52 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.2 tp10 -71.79 -46.38 58.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 30.6 m-85 -80.17 -44.66 19.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.92 151.55 22.54 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.66 86.26 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 70.7 mt -41.22 148.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -104.55 -34.9 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -168.26 112.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.462 ' CD1' HD11 ' A' ' 100' ' ' LEU . 48.3 tp -98.97 144.85 27.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -151.53 124.44 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.35 99.35 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.504 HD11 ' CE2' ' A' ' 99' ' ' PHE . 67.9 mt -47.62 111.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -138.49 119.58 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.75 171.24 6.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -118.89 -2.29 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -104.55 -74.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 92' ' ' GLY . 9.0 t -126.9 -27.97 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.454 ' N ' HG21 ' A' ' 91' ' ' THR . . . -79.39 42.15 2.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' GLY . 56.9 tpp -33.88 -55.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.556 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 53.5 t-80 -134.92 75.36 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.5 mtmt -35.03 -61.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.95 41.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.5 p -169.71 169.73 8.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.04 155.65 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 14.3 m-85 -101.19 137.99 38.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 83' ' ' LEU . 15.4 tp -127.46 144.03 51.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.5 m -126.03 110.86 14.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.561 ' CD1' HD13 ' A' ' 56' ' ' LEU . 10.6 m-85 -85.66 132.73 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 64.6 m -61.0 -37.14 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.18 144.06 39.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -69.27 -58.64 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.03 -46.64 75.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 t -49.9 -56.35 10.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.43 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -42.75 -49.32 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.9 mt -48.28 -52.13 22.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -44.82 -70.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.438 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -50.67 -30.47 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -59.72 -52.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -82.92 -15.95 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.07 -15.74 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.1 mt -116.01 -44.58 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -51.46 122.1 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 45.74 31.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -117.45 -39.94 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 120' ' ' THR . 23.2 ttpp -121.99 155.39 35.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.417 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.1 m -126.54 116.68 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.436 ' CD1' HG12 ' A' ' 61' ' ' ILE . 39.7 mt -65.8 152.86 92.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.25 42.35 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.42 79.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.2 mmm -131.33 136.17 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -78.35 -32.53 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -100.31 153.69 37.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.681 0.753 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . 0.488 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 53.4 Cg_endo -69.75 -179.95 3.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.6 tt -89.35 137.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -105.23 135.94 45.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 58' ' ' ILE . 91.9 t -138.52 109.41 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -139.47 152.94 70.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 108.3 2.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.433 ' CB ' ' CE ' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.905 0.383 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 34.9 ttpt -76.54 92.26 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 108' ' ' ALA . 46.2 mt -77.43 124.53 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.95 133.72 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 130' ' ' VAL . 7.1 mm -115.41 127.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.18 -174.02 15.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 54.89 54.36 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' A' ' 65' ' ' LEU . 90.0 mt -126.07 125.74 24.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 153.49 68.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' HG2' ' ND1' ' A' ' 94' ' ' HIS . 15.0 mtt85 -79.54 43.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.86 10.64 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD1' HG23 ' A' ' 61' ' ' ILE . 71.0 mt -100.82 168.54 9.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.05 155.34 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.06 -43.94 67.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -67.5 -21.8 65.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -97.01 3.3 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.9 mt -118.14 -37.96 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.4 tppp? -56.75 -43.29 99.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.93 -63.61 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -42.15 -72.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' GLU . 79.5 m-85 -49.96 -58.93 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 71' ' ' LYS . 12.7 mm-40 -37.16 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 11.9 tp10 -67.91 -49.26 62.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' PHE . 77.0 m-85 -77.46 -43.57 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.443 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.42 137.4 8.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' ILE . 2.9 ttmp? -65.68 80.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 78.9 mt -36.86 151.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -108.51 -43.97 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.32 112.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 tp -98.9 141.13 32.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.2 m -143.96 123.74 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -83.03 131.81 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 HD13 ' CE2' ' A' ' 99' ' ' PHE . 73.0 mt -83.72 98.17 9.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 149.97 51.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.41 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 6.2 t0 -82.42 176.8 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -127.5 -8.61 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -100.32 -68.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.3 t -128.32 -31.7 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -75.03 47.14 1.89 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' GLY . 2.1 ptt? -36.5 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' GLY . 17.6 t-80 -163.97 111.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -76.93 -65.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.46 44.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.0 p -163.59 170.4 17.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.39 152.56 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.559 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 3.3 m-85 -101.83 132.3 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 102' ' ' TYR . 21.4 tp -118.26 148.18 42.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -129.79 104.86 7.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.562 ' CE2' HD23 ' A' ' 100' ' ' LEU . 4.6 m-85 -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -57.9 -61.5 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.27 159.75 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -85.73 -46.38 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 107' ' ' SER . 10.4 pt-20 -67.17 -43.46 82.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 10.6 t -48.97 -54.26 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -43.43 -37.1 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.82 -47.05 87.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -69.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.37 -33.68 59.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.09 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 33.6 m -77.4 -23.16 50.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' HA ' ' CD ' ' A' ' 118' ' ' GLN . . . -76.47 -21.04 56.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 71.6 mt -108.21 -41.99 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.591 ' CE1' ' OE1' ' A' ' 129' ' ' GLN . 61.8 t60 -56.74 124.92 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 40.92 35.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 113' ' ' SER . 7.9 mt-30 -122.83 -46.33 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 120' ' ' THR . 16.4 tttm -121.36 146.0 47.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.3 m -119.71 132.66 55.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 75.7 mt -82.78 152.86 66.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.77 -28.26 7.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.2 mmm -104.45 123.68 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.39 -34.61 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 126' ' ' ARG . 13.8 mtp-105 -96.12 155.38 38.26 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.96 10.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.468 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.6 tt -87.09 140.64 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.591 ' OE1' ' CE1' ' A' ' 116' ' ' HIS . 13.3 mm100 -105.59 134.99 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 58' ' ' ILE . 26.3 t -134.37 113.91 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 131' ' ' LYS . 1.4 mtpm? -146.32 152.83 47.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 133.52 25.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.6 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.897 0.379 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 16.4 ttmt -90.58 90.17 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.4 mt -75.07 122.6 23.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -95.85 113.79 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 130' ' ' VAL . 6.8 mm -106.91 133.26 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.31 -171.1 14.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 55.68 54.87 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.6 mt -130.43 120.49 18.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 160.36 49.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.555 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 38.7 ptt85 -85.05 42.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.15 4.66 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.0 mt -100.48 171.7 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.04 149.16 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' CG ' HG21 ' A' ' 85' ' ' VAL . 76.5 mt-10 -51.51 -41.88 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -72.08 -16.56 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.75 -17.48 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.429 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.3 mt -100.42 -33.62 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.6 ttmp? -53.76 -43.91 97.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.0 Cg_exo -47.92 -63.2 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.7 mt -39.8 -72.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' GLU . 84.7 m-85 -53.19 -56.23 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.69 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.2 tp10 -73.48 -48.03 36.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.45 -44.0 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.84 158.78 26.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.24 93.15 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 61.7 mt -49.51 155.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -120.63 -33.52 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -172.03 112.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 tp -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.6 m -140.9 125.92 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.461 HG21 ' CG ' ' A' ' 67' ' ' GLU . 77.3 t -96.34 97.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 99' ' ' PHE . 67.4 mt -51.18 109.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.97 122.02 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.4 t70 -68.75 176.34 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -129.7 1.63 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.71 -68.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.9 t -128.9 -38.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.44 44.5 1.96 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' GLY . 54.9 mmm -33.83 -46.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.8 t-80 -134.76 76.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' HIS . 40.7 mttm -35.86 -45.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.98 1.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.4 p -162.96 175.7 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.07 151.75 25.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 11.4 m-85 -101.74 130.87 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 101' ' ' THR . 14.8 tp -115.3 152.15 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.403 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 95.6 m -133.72 118.04 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -100.25 126.04 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.1 m -43.03 -48.72 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -106.06 148.04 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -70.22 -59.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 107' ' ' SER . 61.4 tt0 -42.42 -58.81 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 106' ' ' GLU . 5.2 t -37.8 -50.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.2 -46.25 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -51.35 -34.46 34.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -68.6 -69.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.92 -28.69 7.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -58.24 -70.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -66.99 -16.26 64.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.81 -32.16 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.7 mt -103.17 -19.08 14.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -71.68 123.36 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 43.86 42.15 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -131.65 -33.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 120' ' ' THR . 15.3 ttmt -121.09 148.36 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 7.0 m -127.73 98.79 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 44.4 mt -48.35 151.32 1.93 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 124.0 10.64 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.02 24.75 18.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.2 mmm -140.03 117.88 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -58.29 -38.01 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 -100.1 152.75 37.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -178.21 2.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 11.0 tt -90.48 136.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -107.03 130.81 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.473 HG11 ' CD1' ' A' ' 58' ' ' ILE . 44.5 t -126.94 113.16 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -142.09 139.79 18.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 129.28 17.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.468 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.377 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 27.0 ttpt -86.15 88.31 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD22 ' NE2' ' A' ' 112' ' ' GLN . 51.8 mt -74.14 127.37 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -95.29 119.95 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.2 mm -105.79 129.67 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.72 -172.51 14.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 55.99 43.67 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.749 0.309 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CG2' HD11 ' A' ' 65' ' ' LEU . 95.8 mt -119.78 125.61 27.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.2 14.87 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 3.3 mpt_? -98.34 44.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -131.45 7.79 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' CG2' ' A' ' 61' ' ' ILE . 78.3 mt -101.15 171.6 7.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.17 153.22 46.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' CG ' HG21 ' A' ' 85' ' ' VAL . 42.7 mt-10 -55.42 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -72.15 -18.99 61.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.07 -17.84 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.6 mt -99.08 -28.49 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 66.4 tttt -55.92 -43.18 99.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.698 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.1 Cg_exo -48.01 -63.11 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.7 mt -41.96 -72.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CD1' HD22 ' A' ' 100' ' ' LEU . 67.9 m-85 -52.95 -59.96 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -40.78 -24.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' PHE . 6.3 tp10 -77.82 -45.51 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' PHE . 39.3 m-85 -76.5 -44.02 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.69 162.77 26.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.2 88.88 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 81' ' ' TYR . 80.5 mt -41.15 138.22 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CD1' ' HB2' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -101.94 -37.49 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 25.7 tt0 -171.58 112.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 31.3 tp -97.75 136.46 38.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.7 m -144.44 121.74 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.437 HG21 ' CG ' ' A' ' 67' ' ' GLU . 84.8 t -90.79 119.88 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.62 118.77 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -132.4 119.66 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.43 -179.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -131.08 12.69 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -128.86 -71.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -124.84 -30.93 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.27 40.24 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' GLY . 13.8 mmt -33.19 -46.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.9 t-80 -134.96 93.23 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -63.51 169.72 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.03 45.03 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.3 p -162.35 170.3 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.26 151.27 27.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.535 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 7.1 m-85 -101.59 129.16 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.517 HD23 ' CE2' ' A' ' 102' ' ' TYR . 14.3 tp -117.33 149.79 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.6 m -132.13 119.25 20.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.517 ' CE2' HD23 ' A' ' 100' ' ' LEU . 3.6 m-85 -100.6 126.48 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.1 p -50.63 -47.77 58.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -96.98 151.23 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -80.8 -47.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.01 -42.31 94.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.6 p -54.35 -35.69 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.7 mt -54.12 -51.53 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -54.04 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.47 60.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.424 ' NE2' HD22 ' A' ' 56' ' ' LEU . 8.8 mt-30 -57.68 -58.1 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.5 m -76.65 -18.07 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -84.6 -14.38 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.5 mt -113.95 -42.68 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -49.41 131.78 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 38.75 36.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -46.73 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -108.92 150.16 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.0 m -128.79 91.39 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.3 mt -41.39 152.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 134.49 28.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.66 26.51 53.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.4 mmm -137.55 119.65 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.91 -36.86 82.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -100.06 154.78 37.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.52 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.6 tt -97.08 127.3 49.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.16 137.95 33.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.9 t -137.38 115.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -145.05 142.37 18.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 115.3 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 105' ' ' ARG . 52.3 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.368 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.47 ' HD2' ' CB ' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -104.8 116.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.812 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.41 HD21 ' CD ' ' A' ' 112' ' ' GLN . 20.1 mt -92.37 123.94 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -98.06 113.65 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' CD1' HG13 ' A' ' 130' ' ' VAL . 8.2 mm -97.53 132.56 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.53 -172.49 13.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 54.47 54.76 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.6 mt -131.96 133.95 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 124' ' ' MET . 53.9 Cg_endo -69.78 -176.8 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HA ' ' ND1' ' A' ' 94' ' ' HIS . 25.7 ptt-85 -110.97 44.84 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.98 5.28 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -101.09 172.5 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.06 159.01 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 4.0 mp0 -60.75 -21.59 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -89.07 -10.83 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.28 -6.15 16.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.3 mt -110.08 -28.93 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.632 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 46.1 tttt -58.88 -42.68 95.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.9 Cg_exo -48.0 -62.61 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.4 mt -44.62 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CD1' HD22 ' A' ' 100' ' ' LEU . 74.8 m-85 -49.66 -58.92 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -46.21 -20.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -77.29 -42.82 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.67 -43.82 22.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.72 162.4 26.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -80.16 94.29 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 81' ' ' TYR . 70.2 mt -48.71 160.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.441 ' N ' HG22 ' A' ' 80' ' ' ILE . 4.8 t80 -122.83 -38.27 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -169.76 112.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.4 tp -98.87 132.99 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -139.32 122.1 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 46.8 t -83.16 130.45 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.561 HD12 ' CE2' ' A' ' 99' ' ' PHE . 85.1 mt -89.67 95.15 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' HD2' ' CG1' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.29 164.13 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.14 -178.66 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -130.09 -5.41 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -107.91 -74.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 92' ' ' GLY . 5.2 t -113.42 -35.17 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -77.03 46.55 2.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 92' ' ' GLY . 16.2 ptm -30.99 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 92' ' ' GLY . 3.5 t-80 -158.41 110.76 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -67.96 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.22 47.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.6 p -171.02 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.06 155.32 33.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 86' ' ' LEU . 2.5 m-85 -105.1 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 74' ' ' PHE . 17.4 tp -113.22 142.57 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.8 m -128.14 108.5 10.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.468 ' CE2' HD23 ' A' ' 100' ' ' LEU . 5.0 m-85 -90.19 123.39 33.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -39.55 -57.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -94.05 114.07 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.443 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -49.31 -42.05 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -58.45 -41.57 85.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -46.45 67.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.83 -36.74 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.1 mt -55.35 -35.37 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -72.42 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.69 -19.38 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.065 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.41 ' CD ' HD21 ' A' ' 56' ' ' LEU . 20.3 mt-30 -67.51 -65.64 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 t -75.19 -13.88 60.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.87 -18.84 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.0 mt -112.84 -49.35 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -41.97 128.1 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 39.92 47.19 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -130.49 -51.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -116.82 141.51 48.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.1 m -116.92 130.16 56.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.88 152.39 74.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.12 6.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.329 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.3 -26.54 7.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.421 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 71.4 mmm -104.56 121.73 44.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -59.12 -33.07 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -99.73 153.99 37.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.413 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.3 tt -84.13 142.23 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -111.37 136.32 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 58' ' ' ILE . 41.5 t -134.77 117.55 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -143.93 140.16 16.84 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 107.63 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.891 0.377 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 38.0 ttpt -92.31 99.95 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 102' ' ' TYR . 43.9 mt -78.06 130.28 36.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -99.48 116.51 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mm -103.91 128.56 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.53 -176.29 14.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 55.97 54.96 7.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 65' ' ' LEU . 84.4 mt -131.84 132.86 23.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.545 ' O ' ' CE1' ' A' ' 94' ' ' HIS . 53.0 Cg_endo -69.79 -168.24 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.91 44.88 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.16 11.05 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.416 ' CD1' HG23 ' A' ' 61' ' ' ILE . 67.0 mt -100.33 171.98 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.79 157.27 46.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 14.7 ptpt -77.27 -10.92 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.38 -20.54 14.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.1 mt -101.22 -39.21 7.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.2 ttmm -53.37 -46.02 98.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.6 Cg_exo -47.95 -55.53 3.93 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.9 mt -45.33 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.515 ' CD2' HD21 ' A' ' 100' ' ' LEU . 75.1 m-85 -51.27 -50.55 59.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -40.08 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.9 tt0 -76.33 -41.59 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 74' ' ' PHE . 66.7 m-85 -78.77 -43.64 25.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.62 158.29 26.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' ILE . 38.6 tttt -80.13 75.26 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 80.1 mt -36.5 143.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.468 ' N ' HG21 ' A' ' 80' ' ' ILE . 20.9 t80 -108.36 -34.92 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.965 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' OE1' ' C ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -160.93 135.01 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 31.3 tp -123.04 131.38 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 m -138.35 126.37 22.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.7 t -90.6 102.29 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 99' ' ' PHE . 42.8 mt -56.08 92.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -135.82 138.13 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.06 179.05 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.19 4.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -116.94 -70.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 92' ' ' GLY . 10.1 t -124.79 -27.72 3.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.5 40.93 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' GLY . 48.2 mtp -34.07 -38.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.545 ' CE1' ' O ' ' A' ' 62' ' ' PRO . 42.2 t-80 -152.66 110.07 3.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' A' ' 86' ' ' LEU . 52.8 mtmt -74.28 -56.94 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.28 40.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 24.2 p -174.89 171.42 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.91 155.11 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 86' ' ' LEU . 2.8 m-85 -101.39 125.48 48.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.515 HD21 ' CD2' ' A' ' 74' ' ' PHE . 36.7 tp -125.37 127.84 47.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.3 m -110.98 134.01 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.427 ' CD1' HD12 ' A' ' 56' ' ' LEU . 8.8 m-85 -98.95 150.82 21.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 29.0 t -68.11 -40.94 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.97 165.09 11.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -84.85 -53.79 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.02 -35.86 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 m -47.97 -48.28 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.12 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.8 mt -48.48 -39.07 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -62.42 -62.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.427 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -62.5 -17.59 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -72.85 -44.97 60.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 m -94.93 -16.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 118' ' ' GLN . . . -78.91 -38.85 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.431 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 45.9 mt -90.08 -57.95 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' LEU . 49.0 t60 -35.45 128.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 39.55 46.91 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.1 tm0? -133.99 -53.7 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 120' ' ' THR . 15.0 ttmt -108.68 145.69 34.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.449 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 33.5 m -121.31 126.17 48.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.5 mt -76.53 151.95 83.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 114.75 3.81 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.25 -25.15 8.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.4 mmm -100.78 121.14 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -58.63 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -97.87 155.68 36.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.1 tt -88.2 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -108.81 126.53 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -124.3 116.95 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 142.73 16.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.877 0.37 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 30.4 ttpt -97.71 91.82 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.9 123.22 23.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -94.82 119.43 33.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.0 mm -102.99 140.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.18 -179.04 16.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.41 ' C ' ' HE1' ' A' ' 124' ' ' MET . 21.4 mm100 60.92 54.78 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.3 mt -130.49 132.82 24.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.503 ' O ' ' CE1' ' A' ' 94' ' ' HIS . 53.6 Cg_endo -69.79 162.56 41.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.519 ' HB3' ' CG ' ' A' ' 94' ' ' HIS . 4.9 ptp180 -92.93 44.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.04 11.25 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.5 mt -100.82 176.49 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -140.15 174.22 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' CD ' HG22 ' A' ' 85' ' ' VAL . 14.8 mp0 -75.49 -39.46 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -71.94 -19.88 61.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.79 -22.06 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.7 mt -95.88 -33.14 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.1 tttt -52.12 -44.68 93.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.95 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 mt -38.78 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CD1' HD21 ' A' ' 100' ' ' LEU . 52.2 m-85 -57.12 -58.06 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 32.7 tt0 -36.17 -30.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 74' ' ' PHE . 8.1 tp10 -72.9 -45.81 56.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 74' ' ' PHE . 12.5 m-85 -76.49 -44.53 34.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.23 148.56 20.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -70.51 89.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.727 0.299 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 65.1 mt -42.75 137.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.461 ' N ' HG23 ' A' ' 80' ' ' ILE . 45.9 t80 -104.88 -38.2 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -160.85 112.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 tp -105.76 137.65 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.0 m -143.82 122.78 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.415 HG22 ' CD ' ' A' ' 67' ' ' GLU . 98.9 t -88.7 95.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.0 mt -48.78 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -135.76 136.06 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.42 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.4 t0 -79.54 175.07 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.25 -3.74 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -105.03 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 92' ' ' GLY . 5.7 t -129.2 -33.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -75.03 46.99 1.86 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' GLY . 7.4 mtt -33.46 -49.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.519 ' CG ' ' HB3' ' A' ' 63' ' ' ARG . 18.8 t-80 -135.0 74.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.7 mtmt -33.99 -44.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.56 45.22 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.7 p -172.76 172.78 4.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.78 148.11 18.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 6.0 m-85 -100.08 129.39 46.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' ' 74' ' ' PHE . 15.2 tp -122.78 146.41 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.9 m -133.99 127.3 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 19.6 m-85 -98.7 138.31 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 23.7 m -52.29 -44.76 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -110.69 141.67 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -56.66 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 109' ' ' LEU . 24.9 tt0 -43.3 -52.89 5.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 t -39.48 -43.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.47 -42.76 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 106' ' ' GLU . 21.9 mt -57.18 -51.29 69.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 54.8 mttp -50.21 -63.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.55 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.55 -62.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.0 m -75.4 -1.82 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.541 ' C ' ' NE2' ' A' ' 118' ' ' GLN . . . -106.0 -19.97 13.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.462 ' N ' ' NE2' ' A' ' 118' ' ' GLN . 70.6 mt -114.81 -43.36 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -46.97 127.84 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 41.9 47.9 3.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.541 ' NE2' ' C ' ' A' ' 114' ' ' ALA . 1.4 mt-30 -134.93 -42.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 146.53 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.5 m -123.83 138.19 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.7 155.08 71.06 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.17 6.99 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.21 25.27 22.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.41 ' HE1' ' C ' ' A' ' 60' ' ' GLN . 66.6 mmm -140.19 111.97 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -59.42 -31.04 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.474 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 28.3 ttm180 -100.19 139.54 20.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.7 Cg_endo -69.73 162.64 41.26 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.2 tt -64.89 125.72 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -99.0 129.61 45.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.3 t -126.87 109.16 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -138.59 141.11 29.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 113.96 3.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 105' ' ' ARG . 50.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.915 0.388 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -83.54 92.26 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 112' ' ' GLN . 19.0 mt -74.82 116.4 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -88.39 126.16 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 61' ' ' ILE . 11.0 mm -110.67 134.98 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.67 172.75 22.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 71.1 45.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.46 ' CD1' HG22 ' A' ' 58' ' ' ILE . 87.6 mt -127.92 132.97 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.143 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD3' ' CG ' ' A' ' 124' ' ' MET . 53.8 Cg_endo -69.79 150.2 67.7 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 41.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -123.28 2.75 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.8 mt -100.6 179.59 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.79 173.52 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' HG23 ' A' ' 85' ' ' VAL . 23.8 mt-10 -69.87 -36.61 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 57.1 tttt -73.28 -15.62 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.82 -19.78 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.3 mt -101.46 -31.45 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.636 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 45.1 tttp -59.45 -42.03 90.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 110.931 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.7 Cg_exo -48.02 -63.04 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -43.28 -72.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.507 ' CG ' HD22 ' A' ' 100' ' ' LEU . 71.2 m-85 -53.12 -60.49 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 3.8 tp10 -40.2 -25.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.3 tt0 -72.11 -47.44 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' PHE . 32.2 m-85 -73.77 -44.41 56.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.93 157.33 25.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -79.76 91.03 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 80.6 mt -44.13 154.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.114 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -110.77 -36.84 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -164.02 112.74 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 100' ' ' LEU . 30.8 tp -96.97 134.62 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.0 m -145.67 111.3 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.45 HG23 ' CG ' ' A' ' 67' ' ' GLU . 73.3 t -85.24 101.06 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 99' ' ' PHE . 59.4 mt -42.59 119.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -136.47 133.1 36.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.41 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.3 t70 -95.31 179.4 5.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 28.6 ttm180 -124.61 8.23 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.25 -75.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.1 t -122.36 -41.44 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -78.29 41.74 2.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' GLY . 4.3 mtt -35.77 -36.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -125.33 -23.21 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' GLY . 28.0 mtmm 56.6 25.08 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.6 57.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.0 p -174.97 172.43 2.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.3 23.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.563 ' CE2' HD11 ' A' ' 86' ' ' LEU . 4.1 m-85 -105.62 135.29 47.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.542 HD23 ' CE2' ' A' ' 102' ' ' TYR . 13.8 tp -124.17 145.5 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.7 m -130.14 117.04 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.542 ' CE2' HD23 ' A' ' 100' ' ' LEU . 10.6 m-85 -95.14 127.0 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 19.2 m -45.92 -59.25 2.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -91.77 106.41 18.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.501 ' HD2' ' N ' ' A' ' 106' ' ' GLU . 2.3 ppt_? -40.95 -41.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 11.3 pt-20 -66.22 -54.7 22.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.5 p -46.76 -34.41 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB3' ' CD2' ' A' ' 102' ' ' TYR . . . -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.16 -36.17 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.09 -67.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.91 -34.71 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.418 ' CD ' HD22 ' A' ' 56' ' ' LEU . 27.1 mt-30 -51.75 -59.09 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.4 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 2.4 t -77.4 -17.54 58.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.42 -25.31 42.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.415 HD11 ' CE1' ' A' ' 74' ' ' PHE . 39.0 mt -106.91 -48.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.464 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 69.9 t60 -43.76 133.9 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' HIS . 46.5 mm-40 36.22 33.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' HIS . 1.6 mt-30 -125.78 -36.71 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.408 ' O ' ' CG2' ' A' ' 128' ' ' ILE . 8.3 ttmm -126.39 137.38 53.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.0 m -118.38 128.41 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.405 ' CD1' HG12 ' A' ' 61' ' ' ILE . 47.3 mt -75.52 150.98 84.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.1 7.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.23 -28.27 7.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.411 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 67.6 mmm -102.78 126.55 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.5 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -91.08 154.13 44.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 172.97 11.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 119' ' ' LYS . 18.8 tt -80.56 134.07 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -99.78 131.55 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 58' ' ' ILE . 58.9 t -138.96 112.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.464 ' HD3' ' CE1' ' A' ' 116' ' ' HIS . 20.5 mmmt -146.04 151.98 46.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 131.79 22.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.862 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.896 0.379 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.507 ' HE3' ' CG ' ' A' ' 99' ' ' PHE . 9.3 tttp -80.62 104.15 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.492 ' CD2' ' OE1' ' A' ' 112' ' ' GLN . 91.9 mt -78.04 156.19 30.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.2 119.83 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.426 ' CD1' HG22 ' A' ' 130' ' ' VAL . 8.8 mm -106.52 137.4 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.67 -175.61 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.98 54.99 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.5 mt -126.07 124.56 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 158.02 58.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.72 4.06 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.1 mt -101.5 171.31 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.23 158.26 44.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 11.2 mt-10 -58.68 -42.29 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 17.5 tptt -73.59 -21.54 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.94 -17.28 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.434 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 31.0 mt -101.03 -37.76 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -52.71 -44.18 94.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.9 Cg_exo -48.05 -63.34 0.32 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.646 2.23 . . . . 0.0 112.32 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.6 mt -40.31 -70.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' PHE . 97.0 m-85 -49.79 -51.4 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.493 ' N ' HD13 ' A' ' 80' ' ' ILE . 12.4 tt0 -37.79 -35.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -70.76 -43.13 69.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 28.7 m-85 -72.01 -45.09 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.51 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.7 158.61 26.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -80.66 73.0 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 75' ' ' GLU . 71.4 mt -41.38 152.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -114.88 -34.42 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -168.44 113.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.8 tp -99.77 144.7 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.9 m -149.86 116.71 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 84.0 t -89.16 114.88 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.486 HD11 ' CE2' ' A' ' 99' ' ' PHE . 84.9 mt -55.06 104.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -131.07 112.77 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.429 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -60.29 163.32 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -113.78 -1.02 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -105.28 -75.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -129.93 -28.22 2.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.429 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.89 41.28 2.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.5 mtt -59.94 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 95' ' ' LYS . 1.8 t-80 71.64 54.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 94' ' ' HIS . 9.8 mtmm -33.33 -64.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.39 36.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.4 p -156.17 174.85 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.11 155.92 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.507 ' CG ' ' HE3' ' A' ' 55' ' ' LYS . 5.4 m-85 -108.14 135.04 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.8 tp -122.8 139.98 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.9 m -126.62 121.24 31.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 2.0 m-85 -104.18 136.51 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.5 t -48.24 -60.99 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -93.25 168.18 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 105' ' ' ARG . 14.2 mtp-105 -84.83 -56.9 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -44.11 -55.27 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.5 p -40.75 -53.73 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.83 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 mt -46.84 -43.48 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -54.73 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.07 -31.71 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.492 ' OE1' ' CD2' ' A' ' 56' ' ' LEU . 6.3 tt0 -54.8 -45.04 74.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.8 m -96.35 -19.42 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.38 -23.27 43.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.44 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 62.6 mt -105.5 -45.2 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.449 ' NE2' ' OE2' ' A' ' 117' ' ' GLU . 84.4 t60 -51.85 135.04 30.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' NE2' ' A' ' 116' ' ' HIS . 59.6 mt-10 36.38 40.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -122.2 -44.14 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -126.21 146.96 49.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.9 m -117.78 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 74.6 mt -74.53 154.59 87.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 123.39 10.06 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.46 27.8 31.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mmm -140.24 115.62 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -63.04 -28.89 70.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -100.09 134.98 20.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.424 HD13 ' CG2' ' A' ' 58' ' ' ILE . 15.5 tt -63.42 130.64 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -104.83 146.82 28.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.426 HG22 ' CD1' ' A' ' 58' ' ' ILE . 24.5 t -144.6 122.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.74 152.55 48.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 102.62 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.737 2.291 . . . . 0.0 112.345 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.97 123.63 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.3 mt -93.48 121.62 35.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -87.77 129.58 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.462 HG23 ' CD1' ' A' ' 61' ' ' ILE . 20.3 mm -112.71 135.5 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.47 16.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 60.2 54.99 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.462 ' CD1' HG23 ' A' ' 58' ' ' ILE . 71.7 mt -132.16 126.83 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 151.36 68.84 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.309 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.512 ' HA ' ' CG ' ' A' ' 94' ' ' HIS . 7.5 ptp85 -79.53 43.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 64' ' ' ASN . 3.2 t30 -126.01 2.83 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 mt -100.46 173.7 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.19 153.64 46.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 85' ' ' VAL . 28.0 mt-10 -51.39 -42.2 61.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 38.2 tttp -64.27 -26.37 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.86 7.44 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.15 -37.19 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.622 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.3 ttpp -62.29 -43.29 84.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.0 Cg_exo -47.88 -53.12 7.06 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.3 mt -52.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.539 ' CE1' HD11 ' A' ' 115' ' ' LEU . 80.5 m-85 -52.26 -55.31 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' N ' HD13 ' A' ' 80' ' ' ILE . 9.6 tt0 -38.1 -46.12 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.21 -39.52 79.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' PHE . 33.8 m-85 -76.54 -45.19 31.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.442 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.79 166.94 26.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -80.46 118.74 22.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 81' ' ' TYR . 82.5 mt -92.19 136.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.462 ' N ' HG21 ' A' ' 80' ' ' ILE . 22.3 t80 -101.76 -41.11 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.7 tt0 -160.32 121.24 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.1 tp -103.65 144.26 31.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -144.67 118.89 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.46 HG23 ' CG ' ' A' ' 67' ' ' GLU . 90.8 t -92.31 97.97 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.561 HD13 ' CE2' ' A' ' 99' ' ' PHE . 78.5 mt -37.19 109.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -126.76 137.4 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.57 -27.35 61.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 56.17 24.92 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -134.98 -73.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 t -135.04 -39.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.15 30.29 2.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' GLY . 8.2 ptt? -36.74 119.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 63' ' ' ARG . 7.5 t-80 70.75 54.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.8 mttt -32.73 -64.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.0 35.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.8 p -164.76 175.52 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.03 145.74 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.561 ' CE2' HD13 ' A' ' 86' ' ' LEU . 7.3 m-85 -101.96 122.0 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 74' ' ' PHE . 31.7 tp -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.0 m -119.51 112.84 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 4.8 m-85 -96.52 130.08 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.83 -65.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -73.88 168.02 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -83.48 -56.34 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 109' ' ' LEU . 56.9 mt-10 -62.29 -44.79 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.4 p -39.55 -37.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.518 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -68.95 -43.43 75.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' GLU . 23.3 mt -55.04 -50.74 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 76.1 mttt -46.36 -67.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.95 67.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.421 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 12.3 tt0 -58.48 -63.81 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -73.6 -24.19 60.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.36 -32.68 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.539 HD11 ' CE1' ' A' ' 74' ' ' PHE . 26.4 mt -96.15 -46.89 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 117' ' ' GLU . 68.3 t60 -43.82 130.3 5.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 116' ' ' HIS . 16.5 mm-40 35.66 45.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -133.69 -42.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -115.44 156.86 24.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.0 m -138.37 119.62 14.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.18 150.64 97.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 118.93 5.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.81 -27.35 7.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mmm -100.2 122.4 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -59.63 -37.0 77.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -92.46 156.06 41.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.531 0.682 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.234 . . . . 0.0 112.351 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 58' ' ' ILE . 16.3 tt -97.78 140.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -104.1 133.98 48.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 50.1 t -138.12 111.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -144.05 153.14 56.45 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.421 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.78 127.42 14.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.879 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 105' ' ' ARG . 84.7 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.889 0.376 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 5.9 pttm -98.88 116.6 31.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.9 mt -81.12 131.42 35.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -101.29 111.13 23.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.425 ' CG2' HD11 ' A' ' 61' ' ' ILE . 8.8 mm -100.75 140.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.57 -175.33 13.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 58.21 54.92 5.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.473 ' CG2' HD12 ' A' ' 65' ' ' LEU . 59.5 mt -132.03 127.2 20.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 159.64 52.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -86.54 42.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -123.71 1.43 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 61' ' ' ILE . 49.5 mt -100.97 173.18 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.08 158.82 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.466 ' CG ' HG21 ' A' ' 85' ' ' VAL . 29.4 mt-10 -58.43 -34.33 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -75.1 -12.42 60.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -108.69 -8.91 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.1 mt -108.55 -36.22 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 41.6 tttt -58.33 -42.91 97.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.97 -63.06 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -42.32 -68.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . 87.4 m-85 -49.8 -55.33 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -37.13 -33.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.19 -56.73 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.73 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.536 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.73 155.91 25.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.22 76.81 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 70.0 mt -37.92 157.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 81' ' ' TYR . 5.2 t80 -121.08 -33.52 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -171.9 113.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.09 134.16 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.9 m -133.88 119.37 19.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.466 HG21 ' CG ' ' A' ' 67' ' ' GLU . 54.8 t -83.22 125.08 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 99' ' ' PHE . 64.5 mt -77.32 105.51 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.59 151.34 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.0 t0 -89.68 174.11 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -126.58 1.34 6.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -112.08 -71.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.45 HG21 ' N ' ' A' ' 92' ' ' GLY . 9.5 t -127.14 -30.67 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.27 45.61 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 92' ' ' GLY . 20.5 ptm -33.49 -43.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 6.5 t-80 -146.42 106.43 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -68.94 -49.14 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.94 46.1 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.4 p -173.88 173.75 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.92 152.14 26.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.431 ' CD2' HD13 ' A' ' 86' ' ' LEU . 9.8 m-85 -103.66 126.62 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 102' ' ' TYR . 35.9 tp -113.16 149.81 33.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.1 m -126.26 107.83 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE2' HD21 ' A' ' 100' ' ' LEU . 3.7 m-85 -92.59 123.88 36.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 63.1 m -38.75 -68.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.8 112.06 20.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.507 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -44.58 -42.88 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.476 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 37.8 tt0 -59.37 -50.46 73.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -43.57 -45.25 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.38 -40.23 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.5 mt -54.63 -32.54 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -66.2 -69.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.9 -32.02 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.412 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 34.1 mt-30 -46.81 -61.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.3 t -81.17 -19.96 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -75.8 -17.21 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.9 mt -113.8 -48.97 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -45.99 122.34 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 50.69 37.42 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -133.69 -39.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 128' ' ' ILE . 17.1 tptp -110.53 126.55 54.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.4 m -119.7 121.31 38.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 24.8 mt -73.63 151.21 89.18 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 114.58 3.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.07 -15.0 16.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 mmm -110.98 111.18 22.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -58.24 -26.34 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 39.2 ttt85 -96.56 139.7 21.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.9 Cg_endo -69.82 156.09 64.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 119' ' ' LYS . 16.2 tt -65.91 144.1 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -112.63 137.57 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.85 117.06 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -144.27 141.01 17.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.412 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.77 120.62 7.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.408 ' CB ' ' HE2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.938 0.399 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -88.79 88.21 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.74 123.88 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.44 113.84 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.455 ' CD1' HG13 ' A' ' 130' ' ' VAL . 16.1 mm -97.95 133.23 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.49 -169.79 12.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 127' ' ' PRO . 79.2 mt-30 55.7 54.97 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.969 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 121' ' ' LEU . 67.1 mt -133.02 130.66 21.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -172.39 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 47.4 ttp85 -111.95 45.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -133.9 10.09 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 61' ' ' ILE . 89.9 mt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -140.2 154.38 46.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' CG ' HG23 ' A' ' 85' ' ' VAL . 80.5 mt-10 -54.55 -40.04 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -72.33 -19.0 61.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -91.36 -25.83 19.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 38.1 mt -91.89 -35.83 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 25.2 tttp -50.75 -44.86 85.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.907 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.99 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -38.28 -73.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 76' ' ' GLU . 52.7 m-85 -56.27 -58.2 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 74' ' ' PHE . 7.6 tt0 -35.75 -31.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' PHE . 27.2 tt0 -73.11 -50.45 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 10.0 m-85 -68.49 -45.4 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.0 160.93 27.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -80.66 88.65 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.0 mt -41.63 153.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CD1' HG22 ' A' ' 101' ' ' THR . 15.8 t80 -113.47 -34.14 5.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -174.89 112.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.1 tp -97.78 140.17 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.8 m -148.68 110.62 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.445 HG23 ' CG ' ' A' ' 67' ' ' GLU . 91.5 t -68.2 136.12 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 HD23 ' CE2' ' A' ' 99' ' ' PHE . 43.0 mt -89.94 98.29 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.72 143.19 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.419 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 3.1 t70 -87.17 175.53 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -126.93 0.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -109.88 -65.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -133.54 -31.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.419 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -80.62 36.43 2.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 76.3 mtm -52.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.518 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 8.4 t-80 71.23 53.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' HIS . 23.1 mtmt -32.92 -64.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.22 42.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.1 p -159.92 173.77 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.88 153.25 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 6.1 m-85 -99.92 132.02 45.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.92 144.47 48.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.406 HG22 ' CD1' ' A' ' 81' ' ' TYR . 87.8 m -127.37 113.82 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -87.23 132.5 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.8 m -54.34 -40.82 68.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -110.63 158.81 18.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -79.82 -44.83 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.92 -53.74 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.8 p -42.65 -37.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.32 90.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.9 mt -55.66 -51.36 67.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -53.48 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.8 -35.95 64.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -56.74 -58.95 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -76.4 -21.05 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.77 -28.28 50.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.4 mt -104.06 -52.66 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' GLU . 72.7 t60 -42.6 127.67 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' HIS . 26.5 mt-10 37.15 45.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.2 -47.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 120' ' ' THR . 39.7 tttp -114.15 153.42 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 20.2 m -125.03 144.6 50.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 61' ' ' ILE . 76.7 mt -87.85 154.67 52.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 104.43 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.226 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 107.46 21.61 7.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 60' ' ' GLN . 13.5 mtp -132.9 105.08 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -45.8 -38.55 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -100.15 155.11 36.79 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . 0.421 ' O ' ' CD ' ' A' ' 60' ' ' GLN . 54.0 Cg_endo -69.77 -167.43 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 14.4 tt -99.86 134.21 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -98.74 140.12 33.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 58' ' ' ILE . 45.2 t -137.59 111.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.48 29.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.72 19.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.496 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HG2' ' A' ' 105' ' ' ARG . 24.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' ALA . 18.2 mtmt -78.17 99.62 6.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.0 mt -83.28 111.71 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 2.4 t80 -90.94 122.11 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 mm -108.07 139.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.61 177.93 16.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 61.16 54.44 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -123.92 122.6 26.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 154.27 67.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.358 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 11.6 ptp180 -80.95 41.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -129.46 7.81 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.9 mt -100.66 172.26 7.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.67 158.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 31.3 mp0 -60.54 -42.43 96.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.21 -14.23 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.92 -16.0 22.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.4 mt -106.52 -24.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -58.52 -43.9 98.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.98 -63.55 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 31.2 mt -42.1 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -50.92 -49.21 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 80' ' ' ILE . 31.2 tt0 -51.99 -21.83 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -78.29 -41.28 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -78.69 -44.38 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.9 161.23 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -80.36 92.95 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 75' ' ' GLU . 58.9 mt -55.7 141.79 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.468 ' N ' HG22 ' A' ' 80' ' ' ILE . 22.4 t80 -103.05 -37.6 7.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -167.57 114.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -100.58 141.93 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 66.9 m -144.58 118.62 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 47.3 t -87.76 114.59 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.529 HD13 ' CE2' ' A' ' 99' ' ' PHE . 54.8 mt -65.29 85.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -137.73 104.98 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 11.9 t0 -61.74 174.27 0.84 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.63 6.44 6.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -114.53 -61.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.7 t -133.17 -41.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.11 42.06 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.2 tpt -59.5 109.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LYS . 12.7 t-80 55.18 54.96 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.2 mtpt -34.18 -49.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.02 46.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 p -172.78 177.97 2.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.23 156.26 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.529 ' CE2' HD13 ' A' ' 86' ' ' LEU . 2.8 m-85 -112.41 128.62 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.3 tp -120.37 146.64 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.2 m -130.53 121.47 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -105.14 132.33 51.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.2 t -45.55 -56.29 5.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -86.61 165.43 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 54' ' ' ILE . 5.0 tmm_? -85.79 -63.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 107' ' ' SER . 47.1 mm-40 -52.85 -47.1 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 106' ' ' GLU . 47.9 t -34.33 -52.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.43 -48.63 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' GLU . 36.0 mt -47.07 -43.16 19.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -55.89 -62.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.14 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.457 ' NE2' ' HD3' ' A' ' 132' ' ' PRO . 36.6 mt-30 -70.18 -71.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -59.94 -13.19 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -89.31 -55.36 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.24 -46.7 32.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -42.02 129.23 3.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 43.7 49.98 6.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -133.48 -45.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -114.8 159.31 20.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.8 m -134.23 108.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.8 mt -57.2 148.46 52.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.341 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.86 -17.67 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.4 mmm -105.46 120.94 42.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.33 -32.21 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -99.68 158.62 31.8 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -169.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 7.6 tt -94.51 133.77 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -105.42 124.42 49.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.7 t -125.3 119.73 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -145.95 154.38 50.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.457 ' HD3' ' NE2' ' A' ' 112' ' ' GLN . 53.4 Cg_endo -69.76 157.67 59.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.905 0.383 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -93.98 93.23 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.4 mt -73.57 123.47 24.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -95.5 115.44 27.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 130' ' ' VAL . 5.3 mm -105.72 128.43 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.517 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . -111.38 -145.28 10.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 3.6 pp0? 34.83 38.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 65' ' ' LEU . 16.2 mt -114.59 116.95 43.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 168.03 22.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 31.1 ptt180 -87.78 42.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.84 10.49 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 61' ' ' ILE . 97.4 mt -100.21 178.02 4.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -139.92 166.57 24.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -70.78 -30.89 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' CD ' ' A' ' 72' ' ' PRO . 26.4 mmtm -89.02 -15.82 33.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.24 -12.83 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 22.4 mt -103.42 -38.4 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 24.3 ttmt -52.35 -44.76 94.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -48.02 -58.8 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 mt -45.54 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.5 ' CG ' HD23 ' A' ' 100' ' ' LEU . 74.7 m-85 -49.33 -50.06 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -45.47 -21.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -74.07 -38.72 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 114' ' ' ALA . 39.0 m-85 -86.85 -43.72 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.52 143.95 14.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 82.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 81.3 mt -41.23 153.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -115.92 -36.17 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.66 133.46 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.3 tp -126.34 145.77 50.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.0 m -149.66 108.76 3.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 87' ' ' LYS . 25.1 t -79.37 100.35 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD22 ' CE2' ' A' ' 99' ' ' PHE . 53.4 mt -41.42 91.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' VAL . 6.3 ptmm? -129.34 116.68 19.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.98 177.19 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -124.64 6.61 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -114.91 -73.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.8 t -118.37 -40.02 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -78.85 41.21 2.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.463 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -35.43 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.481 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 58.6 t-80 -159.04 108.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -81.75 157.92 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.58 45.17 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.0 p -175.07 175.41 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.09 169.01 25.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.428 ' CE2' HD22 ' A' ' 86' ' ' LEU . 8.6 m-85 -116.01 126.48 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.549 HD21 ' CE2' ' A' ' 102' ' ' TYR . 33.4 tp -118.49 150.8 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.4 m -127.81 128.78 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CE2' HD21 ' A' ' 100' ' ' LEU . 10.8 m-85 -105.71 142.55 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.96 -47.39 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -118.34 155.73 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -68.6 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -39.35 -59.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.2 m -39.63 -47.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.33 -42.11 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.2 -42.52 77.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.63 -60.89 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.05 -35.51 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 21.9 mt-30 -55.21 -54.96 36.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.0 t -78.18 -23.15 47.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.76 -20.24 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.472 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 44.3 mt -113.53 -52.06 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 67.8 t60 -46.95 115.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 53.07 45.2 29.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -126.51 -39.39 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.472 ' HE3' ' CD2' ' A' ' 115' ' ' LEU . 5.6 ptpt -127.31 179.87 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.2 m -140.3 111.56 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.03 149.39 86.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 119.61 6.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 108.32 -8.09 35.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mmm -115.15 121.39 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -61.21 -34.23 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -93.32 162.16 28.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -167.22 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.477 HG13 ' NE2' ' A' ' 60' ' ' GLN . 1.4 tt -91.31 150.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 128' ' ' ILE . 1.4 mp0 -129.41 120.65 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 58' ' ' ILE . 59.6 t -128.16 127.33 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -151.76 142.29 15.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 116.81 4.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.0 m -101.12 -56.83 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -89.59 -44.03 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.16 -108.33 0.85 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t 62.49 42.11 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 t -96.63 84.66 3.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.71 -130.6 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.16 161.34 35.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.69 144.15 55.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -51.38 156.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -52.59 -49.43 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.65 81.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.22 158.32 34.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.8 mt -105.49 125.05 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 14.5 ttmm -86.42 94.2 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.46 121.37 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -94.69 114.3 26.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.1 mm -101.72 137.17 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.08 175.53 20.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 72.22 42.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.3 mt -125.65 134.29 25.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.98 67.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -86.73 41.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.96 6.77 6.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -100.14 178.9 4.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -140.13 154.89 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.472 ' CG ' HG23 ' A' ' 85' ' ' VAL . 27.0 mt-10 -58.73 -38.15 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 34.2 mtmm -73.05 -10.83 60.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.1 -20.2 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 29.9 mt -100.66 -37.76 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.623 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -55.41 -43.43 99.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.889 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.99 -63.16 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.4 mt -43.63 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE1' ' CD1' ' A' ' 115' ' ' LEU . 78.4 m-85 -49.62 -42.53 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' N ' HD13 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -50.9 -37.74 45.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -64.27 -25.65 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -91.87 -44.61 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.2 160.24 26.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -80.49 74.32 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.474 HD13 ' N ' ' A' ' 75' ' ' GLU . 67.5 mt -43.57 139.56 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.473 ' N ' HG23 ' A' ' 80' ' ' ILE . 48.5 t80 -102.69 -38.67 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -157.15 134.97 10.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.7 tp -126.06 135.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 m -141.7 127.5 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.472 HG23 ' CG ' ' A' ' 67' ' ' GLU . 59.5 t -97.39 109.2 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' A' ' 99' ' ' PHE . 46.2 mt -49.52 103.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -136.13 105.13 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -63.55 168.96 4.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -117.77 -0.58 11.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -105.89 -71.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.2 t -127.33 -32.07 2.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.74 39.38 2.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.434 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -33.86 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.848 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' GLY . 49.4 t-80 -151.27 110.54 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.6 mttp -83.34 35.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.23 44.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 27.2 p -161.66 172.94 15.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.15 152.69 26.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.548 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 5.8 m-85 -103.7 135.26 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' A' ' 102' ' ' TYR . 24.3 tp -126.79 140.96 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.7 m -126.21 114.88 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CE2' HD21 ' A' ' 100' ' ' LEU . 9.1 m-85 -91.52 135.43 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 p -55.92 -51.18 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -97.29 132.35 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -58.57 -51.28 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -54.43 -54.93 34.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.0 t -38.97 -58.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.49 -50.08 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.3 mt -49.6 -46.79 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -55.8 -65.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.86 -34.81 42.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -59.27 -63.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -68.88 -22.84 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.29 -34.91 55.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 37.5 mt -95.37 -54.84 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' GLU . 60.2 t60 -34.88 137.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' HIS . 11.6 mm-40 34.63 37.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -125.71 -41.3 2.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -114.04 142.11 46.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.6 m -127.51 109.84 12.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.93 150.41 77.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.589 0.709 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.381 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.14 -21.74 12.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mmm -102.63 114.52 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -54.86 -34.22 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -98.2 154.21 37.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 -178.44 2.32 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 tt -85.94 129.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.87 118.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.77 142.15 15.25 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.45 45.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.29 48.8 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -96.65 149.64 21.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.2 t -111.22 100.85 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -81.05 129.29 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.3 p -48.1 118.76 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -168.73 172.17 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 139.82 61.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -173.4 139.24 5.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -169.59 142.73 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 135.16 70.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 165.31 31.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.1 p -161.95 173.05 15.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.0 t 57.48 42.03 25.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 m 61.78 42.0 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.0 p -104.14 102.41 12.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.43 156.23 35.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 p -103.41 -46.72 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.381 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -56.31 173.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.96 -63.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -108.8 132.69 53.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.326 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 150.4 40.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 51' ' ' HIS . 9.1 m-20 -52.47 161.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' ASP . 11.7 m-70 -36.17 -36.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -141.96 151.75 42.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.0 167.36 15.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.9 mt -100.05 117.41 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.16 98.56 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.411 HD22 ' CD ' ' A' ' 112' ' ' GLN . 35.4 mt -76.19 133.41 40.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -104.73 121.34 43.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 130' ' ' VAL . 12.0 mm -106.63 134.65 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.35 -178.27 15.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 55.85 53.28 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.6 mt -124.22 128.39 25.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.457 ' HD3' ' CG ' ' A' ' 124' ' ' MET . 53.8 Cg_endo -69.76 162.82 40.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.507 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 15.8 ttm180 -88.63 42.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -127.16 6.35 6.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.5 mt -100.41 166.0 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -139.89 153.72 47.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -52.23 -37.36 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -79.18 -15.65 57.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.57 -1.57 32.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.8 mt -118.09 -25.05 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.9 ttmp? -62.41 -43.05 83.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.96 -62.58 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -43.76 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.485 ' CG ' HD22 ' A' ' 100' ' ' LEU . 65.6 m-85 -52.5 -60.64 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -39.19 -43.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -61.38 -38.08 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 16.8 m-85 -77.5 -44.48 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.21 164.32 26.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -80.36 82.13 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' A' ' 81' ' ' TYR . 97.4 mt -40.2 162.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.513 ' N ' ' CG2' ' A' ' 80' ' ' ILE . 37.6 t80 -131.95 -35.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -166.73 114.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.5 tp -101.98 135.97 42.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -139.39 122.17 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.9 t -96.44 97.42 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' HB3' ' CD ' ' A' ' 95' ' ' LYS . 48.3 mt -39.03 113.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -139.98 111.79 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.03 179.57 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -127.22 9.05 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.35 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.448 HG21 ' N ' ' A' ' 92' ' ' GLY . 9.9 t -121.2 -36.18 3.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.19 41.34 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' GLY . 3.2 ttm -33.79 -60.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.507 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 62.5 t-80 -124.47 82.86 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' CD ' ' HB3' ' A' ' 86' ' ' LEU . 60.1 mttt -49.5 151.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.12 48.7 3.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p -174.2 170.18 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.01 156.72 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.0 128.12 53.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 102' ' ' TYR . 13.1 tp -121.5 134.39 55.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -119.38 110.56 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CE2' HD23 ' A' ' 100' ' ' LEU . 6.2 m-85 -86.21 131.97 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.1 t -46.69 -55.55 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -98.37 163.31 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -83.67 -57.52 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -44.94 -56.88 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -46.24 -53.71 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -43.79 -37.44 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.24 -53.52 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.56 -50.94 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.77 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.411 ' CD ' HD22 ' A' ' 56' ' ' LEU . 27.3 mt-30 -64.22 -56.34 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.7 m -74.72 -8.26 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.19 -23.9 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.407 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -105.94 -48.09 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -47.51 117.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 45.6 47.09 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -130.59 -43.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -123.98 142.22 51.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.6 m -111.06 119.91 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.71 148.57 98.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.9 -17.15 13.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.457 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 70.9 mmm -110.16 125.23 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 125' ' ' ASN . 7.9 t-20 -60.92 -35.91 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -97.54 158.33 33.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -177.51 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.4 tt -90.76 131.66 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -102.74 125.15 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 58' ' ' ILE . 58.0 t -126.01 115.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -143.21 142.22 21.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' ALA . 53.4 Cg_endo -69.76 111.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.3 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . -37.47 -36.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -103.34 153.39 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.6 m -173.22 116.45 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -131.12 147.21 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 138' ' ' ARG . 17.6 m -62.68 -55.29 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 137' ' ' SER . 5.0 ptp180 36.09 43.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -80.82 -161.88 26.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 48.65 -156.22 1.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.3 t -44.03 -48.14 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 51.23 -158.42 2.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.68 4.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 20.9 m -82.6 44.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.9 m 49.01 42.88 21.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.4 p -114.84 121.27 42.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 m -40.74 -56.88 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.24 159.97 8.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -99.67 130.41 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -72.9 171.65 12.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.58 133.93 7.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' LYS . 3.5 mmt -90.56 106.84 18.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -34.79 140.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -108.02 -60.43 1.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -98.69 -60.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -171.12 148.93 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB2' ' CG2' ' A' ' 101' ' ' THR . . . -94.65 112.26 24.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -92.46 139.81 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.557 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 11.4 ttmm -93.75 85.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.55 122.61 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.42 123.18 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.425 HG23 ' CD1' ' A' ' 61' ' ' ILE . 17.3 mm -108.82 134.37 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.424 ' C ' ' OE1' ' A' ' 60' ' ' GLN . . . -126.16 -174.5 13.88 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 59' ' ' GLY . 24.0 mp0 54.65 53.96 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' CG2' HD11 ' A' ' 65' ' ' LEU . 80.7 mt -134.79 127.33 18.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 151.74 69.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 40.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -119.85 0.99 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 61' ' ' ILE . 37.5 mt -100.21 172.59 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.07 159.31 42.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.05 -33.29 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -71.7 -14.24 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.17 -15.93 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.6 mt -98.86 -40.48 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 31.9 tttp -56.28 -43.24 99.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.4 Cg_exo -47.97 -63.35 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.403 HD12 ' NZ ' ' A' ' 119' ' ' LYS . 46.7 mt -42.89 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -49.01 -44.54 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.472 ' N ' HD13 ' A' ' 80' ' ' ILE . 51.5 tt0 -52.35 -32.78 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -67.88 -30.83 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -87.22 -44.18 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.96 160.4 26.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -80.17 81.23 6.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 75' ' ' GLU . 50.9 mt -44.42 142.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' N ' HG22 ' A' ' 80' ' ' ILE . 5.5 t80 -103.66 -34.27 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -170.74 114.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.4 tp -97.4 145.21 26.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -149.7 116.15 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.7 t -96.8 104.11 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 99' ' ' PHE . 25.7 mt -45.05 101.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -133.37 107.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.413 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.2 t70 -63.73 177.98 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -128.58 -2.14 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -106.66 -64.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -134.36 -33.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.03 39.89 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 43.3 mmm -35.23 -39.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -149.2 119.03 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' GLY . 17.7 mtpp -91.27 36.5 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 36.41 47.88 1.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 p -170.44 176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -162.93 151.28 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 86' ' ' LEU . 5.9 m-85 -102.7 124.48 48.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.1 tp -109.13 134.87 51.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 31.7 m -122.18 115.64 22.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 2.6 m-85 -96.21 160.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.4 p -82.42 -46.66 13.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -109.93 124.37 51.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -48.87 -57.48 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -42.05 -49.42 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.9 m -54.07 -46.28 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -53.27 -47.3 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.53 -63.47 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -40.04 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.66 -28.9 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.23 -59.86 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -78.33 -25.89 46.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.35 -14.39 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.4 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 32.9 mt -115.84 -44.1 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -45.48 121.62 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 42.9 34.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.49 -42.79 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 120' ' ' THR . 26.9 ttmt -111.85 149.86 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.433 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 28.1 m -130.18 114.91 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.14 151.2 97.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.96 -23.29 10.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.8 mmm -103.36 121.46 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.37 -35.84 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.32 153.22 39.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -176.57 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.4 tt -92.55 140.37 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -108.68 131.93 54.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 58' ' ' ILE . 36.2 t -131.87 113.14 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.68 142.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 114.68 3.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.3 -50.02 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -144.0 107.24 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 91.4 p -116.15 43.02 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -96.15 103.08 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 33.5 p -59.12 131.12 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.5 38.46 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -99.84 -100.4 2.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.443 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 148.3 132.49 2.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.6 t -122.44 42.58 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -115.71 174.28 15.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 97.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 0.0 112.395 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.7 t -153.5 162.24 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -120.3 128.55 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -83.22 -50.99 7.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.5 p -87.34 153.18 21.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.14 86.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -77.44 -43.56 32.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.7 p -146.81 163.03 37.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.56 111.84 3.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.63 148.14 33.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' CE ' ' CZ ' ' A' ' 81' ' ' TYR . 13.1 ptpt -72.32 144.08 48.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.56 -61.7 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -121.83 -56.64 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 7.8 p30 -145.06 164.05 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.58 143.21 48.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt -105.01 116.96 49.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.536 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 36.6 ttpt -72.38 90.42 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.0 mt -73.76 125.36 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.97 131.48 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 130' ' ' VAL . 7.3 mm -115.38 137.75 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.77 179.99 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 59.43 54.19 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 58' ' ' ILE . 65.4 mt -126.95 122.95 23.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.42 66.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.513 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 26.0 ttm180 -79.92 43.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.78 1.36 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' A' ' 61' ' ' ILE . 72.3 mt -100.64 167.85 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.08 151.53 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.21 -38.04 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 7.2 mtmp? -71.3 -24.4 62.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -93.48 -19.39 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.429 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.5 mt -93.61 -38.82 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.2 tttt -54.6 -43.63 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.554 0.692 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.2 Cg_exo -48.02 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.297 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.6 mt -42.98 -71.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 76' ' ' GLU . 72.6 m-85 -49.58 -59.9 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 74' ' ' PHE . 26.9 mm-40 -36.0 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' PHE . 4.5 tp10 -71.51 -51.14 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 44.0 m-85 -71.63 -43.95 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.75 156.32 25.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' ILE . 6.2 ttpt -80.21 78.32 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 76.1 mt -36.19 146.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.453 ' N ' HG23 ' A' ' 80' ' ' ILE . 16.2 t80 -108.2 -35.82 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -167.84 112.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.9 tp -99.64 137.83 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.7 m -145.6 119.7 9.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.11 132.04 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.438 ' CD1' ' SG ' ' A' ' 97' ' ' CYS . 69.1 mt -84.64 101.63 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -140.07 142.38 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 5.4 t0 -89.15 179.01 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -131.24 0.69 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -110.38 -67.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.2 t -129.17 -36.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.415 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -79.47 40.4 2.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.5 mtm -53.97 101.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.513 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 16.0 t-80 63.95 54.97 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -31.09 -64.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.05 36.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.438 ' SG ' ' CD1' ' A' ' 86' ' ' LEU . 26.5 p -151.62 175.15 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.45 156.97 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.536 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 4.7 m-85 -107.49 134.24 50.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.569 HD22 ' CE2' ' A' ' 102' ' ' TYR . 19.1 tp -127.09 120.85 29.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.6 m -105.33 111.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CE2' HD22 ' A' ' 100' ' ' LEU . 7.2 m-85 -89.94 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 24.5 p -60.54 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -101.01 151.45 21.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -77.41 -55.18 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -50.21 -48.67 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.0 m -52.62 -51.85 58.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.39 -45.86 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.2 mt -52.63 -60.36 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 37.5 mttm -38.75 -62.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.29 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.86 -60.02 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -76.34 -25.41 54.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.74 -23.41 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -106.29 -44.57 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -47.39 124.52 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 43.84 33.31 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -121.38 -47.07 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -104.45 151.86 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.0 m -131.39 92.79 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 75.6 mt -41.62 150.8 0.33 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.59 27.91 8.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.5 mmm -140.01 112.61 7.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -52.37 -38.78 59.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -100.15 155.54 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.0 tt -97.64 130.19 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.91 138.51 33.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 58' ' ' ILE . 74.5 t -143.14 124.63 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -156.28 152.95 24.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ALA . 54.0 Cg_endo -69.76 104.27 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . -34.07 -46.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -134.88 147.91 49.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.5 t -174.36 174.93 2.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -102.6 143.58 32.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.8 t -126.7 -54.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -59.03 141.19 54.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.12 133.17 6.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.47 67.68 3.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.7 t -56.02 -50.92 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 112.89 146.07 9.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 144.1 52.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.378 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 95.1 p -78.27 125.25 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.1 t -127.31 125.43 40.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -114.67 42.03 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -55.72 -44.22 77.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.07 171.65 54.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 m -96.32 83.54 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -39.84 149.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.55 -39.67 90.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.5 46.2 12.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 15.1 pttp -51.79 138.37 23.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.78 170.05 2.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -41.74 -45.19 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.65 155.23 18.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -165.08 126.28 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -103.63 124.39 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.5 ' HD2' ' CD1' ' A' ' 99' ' ' PHE . 7.9 ttpm? -88.76 99.81 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 HD23 ' NE2' ' A' ' 112' ' ' GLN . 21.1 mt -73.74 119.42 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -91.02 125.01 35.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.427 ' CD1' HG12 ' A' ' 130' ' ' VAL . 14.3 mm -108.71 137.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.57 176.73 18.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 62.01 52.11 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.8 mt -127.26 126.17 24.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 154.34 67.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.36 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' CB ' ' CG ' ' A' ' 94' ' ' HIS . 6.0 ptp180 -81.27 41.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -122.59 2.41 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.9 mt -100.37 170.27 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -140.12 151.82 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CG ' HG21 ' A' ' 85' ' ' VAL . 37.2 mt-10 -53.65 -34.06 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 42.3 mttp -71.05 -20.38 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.79 -17.86 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.2 mt -93.95 -42.68 8.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 62.3 tttt -55.2 -43.37 99.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.96 -63.01 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.5 mt -41.86 -72.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' CE1' HD12 ' A' ' 115' ' ' LEU . 74.3 m-85 -49.13 -52.26 27.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HG2' ' CD1' ' A' ' 80' ' ' ILE . 15.8 mm-40 -39.18 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.8 mt-10 -70.99 -49.83 40.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -71.81 -43.69 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.458 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.36 153.79 23.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -80.22 79.2 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.449 HD12 ' CG ' ' A' ' 71' ' ' LYS . 53.7 mt -39.8 149.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 49' ' ' LYS . 7.6 t80 -112.12 -35.74 5.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -162.7 113.07 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.89 137.72 38.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 m -145.14 121.73 11.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG21 ' CG ' ' A' ' 67' ' ' GLU . 40.7 t -96.12 109.13 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' A' ' 99' ' ' PHE . 35.6 mt -53.41 104.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -139.91 128.03 22.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -73.17 -178.96 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -133.37 2.59 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.21 -63.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -131.91 -31.65 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.98 40.72 2.33 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.44 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 15.3 ptt? -34.45 -43.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.438 ' CG ' ' CB ' ' A' ' 63' ' ' ARG . 49.0 t-80 -148.69 107.12 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -67.98 -57.82 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 135.33 39.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.5 p -168.83 173.63 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.58 153.07 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.525 ' CE2' HD11 ' A' ' 86' ' ' LEU . 3.4 m-85 -104.18 126.25 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.566 HD23 ' CE2' ' A' ' 102' ' ' TYR . 23.4 tp -114.5 148.46 37.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.1 m -133.26 107.34 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CE2' HD23 ' A' ' 100' ' ' LEU . 3.5 m-85 -90.87 127.98 36.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 p -49.8 -46.95 51.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -102.11 161.22 13.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -85.34 -56.53 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.91 -47.83 52.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.7 p -52.17 -34.92 47.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.36 -49.09 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 6.2 mtpm? -52.59 -56.39 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.67 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.416 ' NE2' HD23 ' A' ' 56' ' ' LEU . 25.8 mt-30 -60.95 -58.94 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 t -76.62 -21.9 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -78.23 -21.2 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.444 HD12 ' CE1' ' A' ' 74' ' ' PHE . 37.3 mt -109.52 -49.75 3.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -45.64 126.36 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 39.21 38.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.31 -44.78 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 120' ' ' THR . 11.4 ttmt -119.65 148.02 43.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 26.9 m -125.62 110.51 13.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.04 149.89 80.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.9 6.78 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.1 -24.56 9.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.4 mmm -102.8 118.21 36.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -57.16 -32.63 66.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.71 154.79 37.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -178.9 2.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.26 . . . . 0.0 112.318 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.8 tt -91.66 136.46 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -101.13 140.94 34.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.427 HG12 ' CD1' ' A' ' 58' ' ' ILE . 44.3 t -142.52 119.77 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -151.36 152.94 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.555 0.693 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.76 5.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.8 80.96 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -150.16 137.21 19.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 70.5 m -147.18 135.77 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.549 ' CD ' ' N ' ' A' ' 136' ' ' GLU . 0.2 OUTLIER -139.16 116.7 11.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 78.1 p -82.11 44.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 138' ' ' ARG . 0.3 OUTLIER -101.91 81.0 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 36.93 -122.0 0.8 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 163.71 106.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.0 t -107.37 -56.92 2.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 110.833 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 169.37 90.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 144' ' ' SER . 53.0 Cg_endo -69.84 1.07 4.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.291 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 143' ' ' PRO . 12.8 m -34.97 -49.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.0 t -129.56 132.57 46.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.498 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 m -50.39 -47.15 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 t -85.45 154.0 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.9 -41.3 1.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.3 p -63.62 -51.81 63.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -63.37 138.73 58.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.12 -92.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.419 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -104.23 174.87 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 50' ' ' ASP . 2.1 mptt -127.7 145.66 50.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LYS . 1.2 m-20 -34.34 109.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -38.63 -50.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -92.22 74.75 5.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.93 169.93 17.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.4 mt -103.07 131.99 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 17.4 ttmm -90.62 88.84 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' A' ' 108' ' ' ALA . 66.2 mt -73.4 122.16 21.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -94.41 134.12 37.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 61' ' ' ILE . 9.6 mm -118.12 125.07 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.31 -176.88 19.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.414 ' HG3' ' CE ' ' A' ' 124' ' ' MET . 5.1 tp60 54.71 52.6 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 58' ' ' ILE . 90.3 mt -121.17 118.66 30.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.21 63.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.495 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 42.8 ttp85 -80.01 41.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -126.37 4.59 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' A' ' 61' ' ' ILE . 84.7 mt -100.68 179.84 4.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -140.77 165.79 26.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HG2' ' CD2' ' A' ' 83' ' ' LEU . 3.3 tt0 -70.7 -37.97 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 46.8 mttt -80.9 -14.08 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -92.29 -20.35 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.0 mt -98.26 -32.05 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.627 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 71.9 tttt -58.66 -42.71 95.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.1 Cg_exo -48.01 -63.36 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.6 mt -43.91 -72.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.451 ' CG ' HD21 ' A' ' 100' ' ' LEU . 77.5 m-85 -49.55 -38.73 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.489 ' N ' HD12 ' A' ' 80' ' ' ILE . 81.6 tt0 -59.61 -33.69 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -66.9 -26.26 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -91.77 -43.21 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.3 161.6 26.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.92 75.72 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 75' ' ' GLU . 71.3 mt -37.98 149.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.157 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -106.69 -45.61 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -165.95 112.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.482 ' CD2' ' HG2' ' A' ' 67' ' ' GLU . 42.9 tp -95.64 151.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.0 m -156.34 116.8 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.44 128.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 99' ' ' PHE . 76.8 mt -76.8 98.92 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -138.39 110.08 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.404 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -49.71 179.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -129.82 -0.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -111.39 -70.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 92' ' ' GLY . 9.8 t -129.67 -28.0 2.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -81.22 34.29 2.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.1 mmm -53.13 101.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 11.4 t-80 74.21 55.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' HIS . 15.6 mttm -31.74 -60.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.52 36.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.2 p -163.56 174.86 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.47 144.6 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.55 ' CE2' HD13 ' A' ' 86' ' ' LEU . 6.9 m-85 -100.32 132.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 102' ' ' TYR . 17.5 tp -124.75 152.72 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.8 m -132.89 125.23 29.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.541 ' CE2' HD22 ' A' ' 100' ' ' LEU . 16.8 m-85 -99.61 141.69 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.418 ' CB ' ' HG3' ' A' ' 49' ' ' LYS . 2.7 t -44.59 -53.3 7.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -113.07 155.97 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -65.54 -61.59 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -43.79 -56.55 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.0 m -40.29 -59.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.459 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -40.15 -50.77 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -47.08 -55.18 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -41.91 -70.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.45 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -60.1 -55.4 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.1 m -77.21 -28.96 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.82 -14.13 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.1 mt -112.85 -48.05 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -44.63 132.29 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 40.0 36.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.82 -41.42 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -116.5 149.04 40.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.2 m -121.52 100.25 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.6 mt -46.99 152.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.24 11.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.55 30.05 22.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.414 ' CE ' ' HG3' ' A' ' 60' ' ' GLN . 70.3 mmm -140.01 115.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -55.9 -38.3 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -100.14 159.07 30.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.548 0.689 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -174.53 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.7 tt -93.5 134.17 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -98.26 129.63 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.422 HG12 ' CD1' ' A' ' 58' ' ' ILE . 57.7 t -135.99 112.98 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -146.17 152.85 47.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.92 12.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -62.81 -53.35 55.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.27 88.32 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.2 t -64.11 135.85 56.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 136' ' ' GLU . 0.1 OUTLIER -84.82 42.82 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.1 t -117.73 96.83 5.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -60.35 -44.04 95.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -147.74 -130.08 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.36 -113.81 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.478 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.4 p -82.24 159.11 23.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.78 -169.22 12.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.443 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.04 25.54 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.8 t -84.71 138.75 32.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.8 t -113.38 172.41 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.535 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.6 m -48.52 -56.76 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.8 t -70.98 118.17 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -139.41 147.7 19.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -114.84 84.27 2.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -110.26 42.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.23 89.12 1.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.408 ' N ' ' HG ' ' A' ' 103' ' ' CYS . 2.3 ptt? -154.05 127.18 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HD3' ' CZ ' ' A' ' 81' ' ' TYR . 25.4 pttt -58.88 101.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -111.55 -60.93 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -65.03 -60.09 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -174.38 132.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.21 133.2 53.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.1 mt -117.22 124.11 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.57 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -73.01 98.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.561 HD13 ' CD1' ' A' ' 102' ' ' TYR . 40.4 mt -85.72 117.65 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.46 124.55 34.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 130' ' ' VAL . 11.5 mm -108.9 136.93 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.61 179.29 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 127' ' ' PRO . 0.3 OUTLIER 68.3 42.42 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.436 HG12 ' CD1' ' A' ' 121' ' ' LEU . 46.4 mt -124.62 132.11 24.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 158.08 58.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.748 ' NE ' ' H ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -84.57 42.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -126.07 4.8 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.2 mt -100.62 175.12 5.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.31 179.4 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -74.61 -43.01 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -73.97 -12.2 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -98.16 -13.39 20.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.8 mt -110.74 -28.32 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 18.2 tttm -55.85 -44.34 99.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.7 Cg_exo -48.0 -63.27 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' PRO . 81.7 mt -37.7 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 76' ' ' GLU . 44.5 m-85 -54.55 -58.47 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CD ' ' HG2' ' A' ' 71' ' ' LYS . 9.7 mt-10 -36.52 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.2 tp10 -71.79 -46.38 58.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 30.6 m-85 -80.17 -44.66 19.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.92 151.55 22.54 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.66 86.26 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 70.7 mt -41.22 148.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.515 ' CZ ' ' HD3' ' A' ' 49' ' ' LYS . 17.6 t80 -104.55 -34.9 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -168.26 112.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.462 ' CD1' HD11 ' A' ' 100' ' ' LEU . 48.3 tp -98.97 144.85 27.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -151.53 124.44 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.35 99.35 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.504 HD11 ' CE2' ' A' ' 99' ' ' PHE . 67.9 mt -47.62 111.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -138.49 119.58 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.75 171.24 6.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -118.89 -2.29 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -104.55 -74.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 92' ' ' GLY . 9.0 t -126.9 -27.97 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.454 ' N ' HG21 ' A' ' 91' ' ' THR . . . -79.39 42.15 2.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' GLY . 56.9 tpp -33.88 -55.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.556 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 53.5 t-80 -134.92 75.36 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.5 mtmt -35.03 -61.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.95 41.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.5 p -169.71 169.73 8.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.04 155.65 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CD1' ' HD3' ' A' ' 55' ' ' LYS . 14.3 m-85 -101.19 137.99 38.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 83' ' ' LEU . 15.4 tp -127.46 144.03 51.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.5 m -126.03 110.86 14.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.561 ' CD1' HD13 ' A' ' 56' ' ' LEU . 10.6 m-85 -85.66 132.73 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.408 ' HG ' ' N ' ' A' ' 48' ' ' MET . 64.6 m -61.0 -37.14 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.18 144.06 39.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -69.27 -58.64 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.03 -46.64 75.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 t -49.9 -56.35 10.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.43 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -42.75 -49.32 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.9 mt -48.28 -52.13 22.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -44.82 -70.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.438 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -50.67 -30.47 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -59.72 -52.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -82.92 -15.95 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.07 -15.74 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.1 mt -116.01 -44.58 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -51.46 122.1 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 45.74 31.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -117.45 -39.94 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 120' ' ' THR . 23.2 ttpp -121.99 155.39 35.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.417 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.1 m -126.54 116.68 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.436 ' CD1' HG12 ' A' ' 61' ' ' ILE . 39.7 mt -65.8 152.86 92.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.25 42.35 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.42 79.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.2 mmm -131.33 136.17 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -78.35 -32.53 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -100.31 153.69 37.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.681 0.753 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.488 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 53.4 Cg_endo -69.75 -179.95 3.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.6 tt -89.35 137.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -105.23 135.94 45.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 58' ' ' ILE . 91.9 t -138.52 109.41 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -139.47 152.94 70.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 108.3 2.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.433 ' CB ' ' CE ' ' A' ' 55' ' ' LYS . . . -40.81 -49.91 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -41.62 158.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.1 t -164.15 146.62 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.43 ' OE1' ' C ' ' A' ' 137' ' ' SER . 1.0 OUTLIER -164.28 143.01 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.43 ' C ' ' OE1' ' A' ' 136' ' ' GLU . 29.2 t -73.46 81.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -94.14 145.81 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -143.66 85.65 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -167.91 151.57 18.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.5 t -114.65 144.41 43.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -117.54 151.98 17.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 86.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 53.8 p -92.61 59.42 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 25.1 m 46.49 45.31 13.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.506 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -119.0 42.15 2.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.2 p -102.33 133.77 46.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.84 -142.28 27.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.5 p -53.22 117.15 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 m -56.74 -61.53 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.35 125.32 0.76 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.9 mtm -150.2 166.52 29.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.467 ' HE2' ' CE2' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -79.28 136.77 37.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.21 -51.27 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -94.73 162.61 13.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.92 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.31 141.93 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.25 117.74 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 34.9 ttpt -76.54 92.26 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 108' ' ' ALA . 46.2 mt -77.43 124.53 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.95 133.72 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 130' ' ' VAL . 7.1 mm -115.41 127.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.18 -174.02 15.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 54.89 54.36 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' A' ' 65' ' ' LEU . 90.0 mt -126.07 125.74 24.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 153.49 68.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' HG2' ' ND1' ' A' ' 94' ' ' HIS . 15.0 mtt85 -79.54 43.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.86 10.64 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD1' HG23 ' A' ' 61' ' ' ILE . 71.0 mt -100.82 168.54 9.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.05 155.34 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.06 -43.94 67.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -67.5 -21.8 65.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -97.01 3.3 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.9 mt -118.14 -37.96 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.4 tppp? -56.75 -43.29 99.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.93 -63.61 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -42.15 -72.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' GLU . 79.5 m-85 -49.96 -58.93 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 71' ' ' LYS . 12.7 mm-40 -37.16 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 11.9 tp10 -67.91 -49.26 62.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' PHE . 77.0 m-85 -77.46 -43.57 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.443 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.42 137.4 8.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' ILE . 2.9 ttmp? -65.68 80.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 78.9 mt -36.86 151.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.467 ' CE2' ' HE2' ' A' ' 49' ' ' LYS . 60.0 t80 -108.51 -43.97 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.32 112.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 tp -98.9 141.13 32.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.2 m -143.96 123.74 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -83.03 131.81 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 HD13 ' CE2' ' A' ' 99' ' ' PHE . 73.0 mt -83.72 98.17 9.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 149.97 51.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.41 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 6.2 t0 -82.42 176.8 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -127.5 -8.61 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -100.32 -68.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.3 t -128.32 -31.7 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -75.03 47.14 1.89 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' GLY . 2.1 ptt? -36.5 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' GLY . 17.6 t-80 -163.97 111.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -76.93 -65.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.46 44.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.0 p -163.59 170.4 17.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.39 152.56 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.559 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 3.3 m-85 -101.83 132.3 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 102' ' ' TYR . 21.4 tp -118.26 148.18 42.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -129.79 104.86 7.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.562 ' CE2' HD23 ' A' ' 100' ' ' LEU . 4.6 m-85 -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -57.9 -61.5 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.27 159.75 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -85.73 -46.38 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 107' ' ' SER . 10.4 pt-20 -67.17 -43.46 82.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 10.6 t -48.97 -54.26 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -43.43 -37.1 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.82 -47.05 87.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -69.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.37 -33.68 59.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.09 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 33.6 m -77.4 -23.16 50.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' HA ' ' CD ' ' A' ' 118' ' ' GLN . . . -76.47 -21.04 56.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 71.6 mt -108.21 -41.99 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.591 ' CE1' ' OE1' ' A' ' 129' ' ' GLN . 61.8 t60 -56.74 124.92 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 40.92 35.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 113' ' ' SER . 7.9 mt-30 -122.83 -46.33 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 120' ' ' THR . 16.4 tttm -121.36 146.0 47.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.3 m -119.71 132.66 55.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 75.7 mt -82.78 152.86 66.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.77 -28.26 7.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.2 mmm -104.45 123.68 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.39 -34.61 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 126' ' ' ARG . 13.8 mtp-105 -96.12 155.38 38.26 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.96 10.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.468 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.6 tt -87.09 140.64 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.591 ' OE1' ' CE1' ' A' ' 116' ' ' HIS . 13.3 mm100 -105.59 134.99 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 58' ' ' ILE . 26.3 t -134.37 113.91 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 131' ' ' LYS . 1.4 mtpm? -146.32 152.83 47.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 133.52 25.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.19 102.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -95.95 161.88 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 60.7 p -170.29 177.78 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -167.06 148.63 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.4 m -115.98 163.2 16.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -66.64 150.01 49.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -106.09 -178.41 23.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -149.45 169.37 29.72 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 9.1 t -97.34 165.4 12.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.945 0.403 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -170.48 65.06 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 99.01 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.246 . . . . 0.0 112.299 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 44.3 t -62.76 105.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.8 m 53.16 42.21 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 m 44.39 41.29 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 t -43.72 109.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.22 108.04 1.75 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -44.5 140.68 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.9 t -120.47 118.45 30.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.97 45.32 8.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.79 107.32 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 152.93 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -111.27 -44.13 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -116.17 174.97 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.13 102.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -54.93 127.3 28.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.6 mt -101.5 137.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 16.4 ttmt -90.58 90.17 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.4 mt -75.07 122.6 23.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -95.85 113.79 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 130' ' ' VAL . 6.8 mm -106.91 133.26 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.31 -171.1 14.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 55.68 54.87 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.6 mt -130.43 120.49 18.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 160.36 49.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.555 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 38.7 ptt85 -85.05 42.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.15 4.66 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.0 mt -100.48 171.7 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.04 149.16 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' CG ' HG21 ' A' ' 85' ' ' VAL . 76.5 mt-10 -51.51 -41.88 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -72.08 -16.56 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.75 -17.48 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.429 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.3 mt -100.42 -33.62 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.6 ttmp? -53.76 -43.91 97.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.0 Cg_exo -47.92 -63.2 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.7 mt -39.8 -72.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 76' ' ' GLU . 84.7 m-85 -53.19 -56.23 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.69 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.2 tp10 -73.48 -48.03 36.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.45 -44.0 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.84 158.78 26.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.24 93.15 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 61.7 mt -49.51 155.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -120.63 -33.52 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -172.03 112.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 tp -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.6 m -140.9 125.92 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.461 HG21 ' CG ' ' A' ' 67' ' ' GLU . 77.3 t -96.34 97.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 99' ' ' PHE . 67.4 mt -51.18 109.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.97 122.02 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.4 t70 -68.75 176.34 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -129.7 1.63 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.71 -68.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.9 t -128.9 -38.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.44 44.5 1.96 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' GLY . 54.9 mmm -33.83 -46.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.8 t-80 -134.76 76.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' HIS . 40.7 mttm -35.86 -45.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.98 1.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.4 p -162.96 175.7 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.07 151.75 25.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 11.4 m-85 -101.74 130.87 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 101' ' ' THR . 14.8 tp -115.3 152.15 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.46 ' CG2' ' HB1' ' A' ' 53' ' ' ALA . 95.6 m -133.72 118.04 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -100.25 126.04 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.1 m -43.03 -48.72 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -106.06 148.04 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -70.22 -59.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 107' ' ' SER . 61.4 tt0 -42.42 -58.81 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 106' ' ' GLU . 5.2 t -37.8 -50.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.2 -46.25 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -51.35 -34.46 34.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -68.6 -69.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.92 -28.69 7.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -58.24 -70.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -66.99 -16.26 64.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.81 -32.16 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.7 mt -103.17 -19.08 14.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -71.68 123.36 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 43.86 42.15 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -131.65 -33.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 120' ' ' THR . 15.3 ttmt -121.09 148.36 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 7.0 m -127.73 98.79 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 44.4 mt -48.35 151.32 1.93 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 124.0 10.64 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.02 24.75 18.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.2 mmm -140.03 117.88 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -58.29 -38.01 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 -100.1 152.75 37.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -178.21 2.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 11.0 tt -90.48 136.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -107.03 130.81 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.473 HG11 ' CD1' ' A' ' 58' ' ' ILE . 44.5 t -126.94 113.16 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -142.09 139.79 18.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 134' ' ' ASP . 54.2 Cg_endo -69.76 129.28 17.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.468 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . -53.87 84.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 132' ' ' PRO . 1.8 m-20 -108.51 94.97 5.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 88.4 p -108.15 136.44 47.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -157.25 166.81 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 74.1 m -118.75 99.3 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -157.24 120.43 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -87.31 -150.43 18.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -139.98 -179.58 17.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 m -108.0 94.2 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -107.54 177.74 21.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.61 56.38 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 11.3 t -171.03 148.57 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.2 p -70.33 -6.53 35.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -52.42 98.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 t -141.0 172.29 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.92 109.22 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 m -109.35 176.21 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.805 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.1 p -130.75 123.8 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.35 -177.56 23.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.5 mtp -80.47 -72.13 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 146.46 39.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.82 -62.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -127.36 -41.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -173.12 142.06 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.44 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -98.43 136.51 38.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.2 mt -93.44 130.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 27.0 ttpt -86.15 88.31 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD22 ' NE2' ' A' ' 112' ' ' GLN . 51.8 mt -74.14 127.37 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -95.29 119.95 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.2 mm -105.79 129.67 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.72 -172.51 14.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 55.99 43.67 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.749 0.309 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CG2' HD11 ' A' ' 65' ' ' LEU . 95.8 mt -119.78 125.61 27.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.2 14.87 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 3.3 mpt_? -98.34 44.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -131.45 7.79 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' CG2' ' A' ' 61' ' ' ILE . 78.3 mt -101.15 171.6 7.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.17 153.22 46.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' CG ' HG21 ' A' ' 85' ' ' VAL . 42.7 mt-10 -55.42 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -72.15 -18.99 61.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.07 -17.84 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.6 mt -99.08 -28.49 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 66.4 tttt -55.92 -43.18 99.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.698 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.1 Cg_exo -48.01 -63.11 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.7 mt -41.96 -72.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CD1' HD22 ' A' ' 100' ' ' LEU . 67.9 m-85 -52.95 -59.96 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -40.78 -24.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' PHE . 6.3 tp10 -77.82 -45.51 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' PHE . 39.3 m-85 -76.5 -44.02 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.69 162.77 26.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.2 88.88 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 81' ' ' TYR . 80.5 mt -41.15 138.22 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CD1' ' HB2' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -101.94 -37.49 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 25.7 tt0 -171.58 112.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 31.3 tp -97.75 136.46 38.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.7 m -144.44 121.74 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.437 HG21 ' CG ' ' A' ' 67' ' ' GLU . 84.8 t -90.79 119.88 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.62 118.77 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -132.4 119.66 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.43 -179.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -131.08 12.69 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -128.86 -71.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -124.84 -30.93 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.27 40.24 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' GLY . 13.8 mmt -33.19 -46.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.9 t-80 -134.96 93.23 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -63.51 169.72 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.03 45.03 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.3 p -162.35 170.3 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.26 151.27 27.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.535 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 7.1 m-85 -101.59 129.16 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.517 HD23 ' CE2' ' A' ' 102' ' ' TYR . 14.3 tp -117.33 149.79 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.44 ' CG2' ' HB1' ' A' ' 53' ' ' ALA . 23.6 m -132.13 119.25 20.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.517 ' CE2' HD23 ' A' ' 100' ' ' LEU . 3.6 m-85 -100.6 126.48 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.1 p -50.63 -47.77 58.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -96.98 151.23 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -80.8 -47.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.01 -42.31 94.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.6 p -54.35 -35.69 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.7 mt -54.12 -51.53 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -54.04 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.47 60.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.424 ' NE2' HD22 ' A' ' 56' ' ' LEU . 8.8 mt-30 -57.68 -58.1 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.5 m -76.65 -18.07 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -84.6 -14.38 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.5 mt -113.95 -42.68 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -49.41 131.78 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 38.75 36.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -46.73 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -108.92 150.16 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.0 m -128.79 91.39 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.3 mt -41.39 152.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 134.49 28.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.66 26.51 53.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.4 mmm -137.55 119.65 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.91 -36.86 82.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -100.06 154.78 37.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.52 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.6 tt -97.08 127.3 49.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.16 137.95 33.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.9 t -137.38 115.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -145.05 142.37 18.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 115.3 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -45.6 -48.53 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.18 95.67 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.5 t -80.7 152.96 28.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.34 146.31 5.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.4 p -93.06 108.99 20.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -146.61 149.38 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.85 -84.39 0.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 137.84 84.33 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 69.5 m -51.03 -44.67 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 128.76 156.84 9.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 125.01 11.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.323 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 41.8 p -78.08 133.66 37.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.4 t -103.82 156.47 17.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -115.95 137.81 51.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -172.18 118.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.27 106.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 m -136.11 177.41 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -168.19 121.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.88 71.85 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.9 ptp -174.0 121.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HE2' ' CE2' ' A' ' 81' ' ' TYR . 16.6 ptpt -50.85 138.57 18.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -168.4 167.27 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 67.96 39.23 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' ALA . 21.1 t70 66.5 47.81 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -36.41 151.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 105' ' ' ARG . 52.3 mt -117.54 147.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.47 ' HD2' ' CB ' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -104.8 116.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.812 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.41 HD21 ' CD ' ' A' ' 112' ' ' GLN . 20.1 mt -92.37 123.94 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -98.06 113.65 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' CD1' HG13 ' A' ' 130' ' ' VAL . 8.2 mm -97.53 132.56 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.53 -172.49 13.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 54.47 54.76 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.6 mt -131.96 133.95 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HD3' ' CG ' ' A' ' 124' ' ' MET . 53.9 Cg_endo -69.78 -176.8 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HA ' ' ND1' ' A' ' 94' ' ' HIS . 25.7 ptt-85 -110.97 44.84 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.98 5.28 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -101.09 172.5 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.06 159.01 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 4.0 mp0 -60.75 -21.59 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -89.07 -10.83 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.28 -6.15 16.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.3 mt -110.08 -28.93 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.632 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 46.1 tttt -58.88 -42.68 95.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.9 Cg_exo -48.0 -62.61 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.4 mt -44.62 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.562 ' CD1' HD22 ' A' ' 100' ' ' LEU . 74.8 m-85 -49.66 -58.92 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -46.21 -20.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -77.29 -42.82 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.67 -43.82 22.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.72 162.4 26.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -80.16 94.29 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 81' ' ' TYR . 70.2 mt -48.71 160.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.484 ' CE2' ' HE2' ' A' ' 49' ' ' LYS . 4.8 t80 -122.83 -38.27 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -169.76 112.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.4 tp -98.87 132.99 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -139.32 122.1 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 46.8 t -83.16 130.45 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.561 HD12 ' CE2' ' A' ' 99' ' ' PHE . 85.1 mt -89.67 95.15 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' HD2' ' CG1' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.29 164.13 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.14 -178.66 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -130.09 -5.41 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -107.91 -74.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 92' ' ' GLY . 5.2 t -113.42 -35.17 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -77.03 46.55 2.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 92' ' ' GLY . 16.2 ptm -30.99 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 92' ' ' GLY . 3.5 t-80 -158.41 110.76 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -67.96 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.22 47.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.6 p -171.02 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.06 155.32 33.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 86' ' ' LEU . 2.5 m-85 -105.1 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 74' ' ' PHE . 17.4 tp -113.22 142.57 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.8 m -128.14 108.5 10.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.468 ' CE2' HD23 ' A' ' 100' ' ' LEU . 5.0 m-85 -90.19 123.39 33.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -39.55 -57.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -94.05 114.07 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -49.31 -42.05 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -58.45 -41.57 85.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -46.45 67.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.83 -36.74 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.1 mt -55.35 -35.37 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -72.42 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.69 -19.38 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.065 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.41 ' CD ' HD21 ' A' ' 56' ' ' LEU . 20.3 mt-30 -67.51 -65.64 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 t -75.19 -13.88 60.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.87 -18.84 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.0 mt -112.84 -49.35 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -41.97 128.1 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 39.92 47.19 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -130.49 -51.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -116.82 141.51 48.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.1 m -116.92 130.16 56.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.88 152.39 74.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.12 6.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.329 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.3 -26.54 7.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.421 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 71.4 mmm -104.56 121.73 44.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -59.12 -33.07 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -99.73 153.99 37.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.413 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.3 tt -84.13 142.23 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -111.37 136.32 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 58' ' ' ILE . 41.5 t -134.77 117.55 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -143.93 140.16 16.84 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 107.63 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . -46.41 -48.87 18.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -43.42 119.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.1 m -83.26 -56.48 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -159.61 156.64 28.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 68.0 m -99.93 82.73 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -52.74 113.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -114.52 116.49 3.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 166.86 81.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 77.3 p -54.36 148.92 10.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -124.19 93.78 0.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.99 37.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 44.1 t 50.56 46.87 25.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 51.0 m 61.62 43.4 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -99.79 84.78 2.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.9 p -168.26 157.77 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.09 -139.58 4.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.8 m -108.26 95.68 5.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.813 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 t -110.56 -53.6 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.95 109.51 0.77 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.533 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 55.1 ttp -162.94 109.28 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.9 162.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -104.49 -50.01 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -115.41 174.52 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.89 122.74 2.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.08 143.71 26.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.3 mt -117.2 142.66 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 38.0 ttpt -92.31 99.95 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 102' ' ' TYR . 43.9 mt -78.06 130.28 36.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -99.48 116.51 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mm -103.91 128.56 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.53 -176.29 14.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 55.97 54.96 7.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 65' ' ' LEU . 84.4 mt -131.84 132.86 23.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.545 ' O ' ' CE1' ' A' ' 94' ' ' HIS . 53.0 Cg_endo -69.79 -168.24 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.91 44.88 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.16 11.05 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.416 ' CD1' HG23 ' A' ' 61' ' ' ILE . 67.0 mt -100.33 171.98 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.79 157.27 46.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 14.7 ptpt -77.27 -10.92 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.38 -20.54 14.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.1 mt -101.22 -39.21 7.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.2 ttmm -53.37 -46.02 98.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.6 Cg_exo -47.95 -55.53 3.93 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.9 mt -45.33 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.515 ' CD2' HD21 ' A' ' 100' ' ' LEU . 75.1 m-85 -51.27 -50.55 59.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -40.08 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.9 tt0 -76.33 -41.59 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 74' ' ' PHE . 66.7 m-85 -78.77 -43.64 25.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.62 158.29 26.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' ILE . 38.6 tttt -80.13 75.26 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 80.1 mt -36.5 143.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.468 ' N ' HG21 ' A' ' 80' ' ' ILE . 20.9 t80 -108.36 -34.92 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.965 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' OE1' ' C ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -160.93 135.01 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 31.3 tp -123.04 131.38 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 m -138.35 126.37 22.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.7 t -90.6 102.29 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 99' ' ' PHE . 42.8 mt -56.08 92.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -135.82 138.13 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.06 179.05 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.19 4.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -116.94 -70.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 92' ' ' GLY . 10.1 t -124.79 -27.72 3.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.5 40.93 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' GLY . 48.2 mtp -34.07 -38.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.545 ' CE1' ' O ' ' A' ' 62' ' ' PRO . 42.2 t-80 -152.66 110.07 3.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' A' ' 86' ' ' LEU . 52.8 mtmt -74.28 -56.94 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.28 40.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 24.2 p -174.89 171.42 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.91 155.11 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 86' ' ' LEU . 2.8 m-85 -101.39 125.48 48.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.515 HD21 ' CD2' ' A' ' 74' ' ' PHE . 36.7 tp -125.37 127.84 47.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.3 m -110.98 134.01 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.427 ' CD1' HD12 ' A' ' 56' ' ' LEU . 8.8 m-85 -98.95 150.82 21.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 29.0 t -68.11 -40.94 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.97 165.09 11.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -84.85 -53.79 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.02 -35.86 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 m -47.97 -48.28 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.12 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.8 mt -48.48 -39.07 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -62.42 -62.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.427 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -62.5 -17.59 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -72.85 -44.97 60.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 m -94.93 -16.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 118' ' ' GLN . . . -78.91 -38.85 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.431 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 45.9 mt -90.08 -57.95 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' LEU . 49.0 t60 -35.45 128.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 39.55 46.91 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.1 tm0? -133.99 -53.7 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 120' ' ' THR . 15.0 ttmt -108.68 145.69 34.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.449 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 33.5 m -121.31 126.17 48.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.5 mt -76.53 151.95 83.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 114.75 3.81 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.25 -25.15 8.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.4 mmm -100.78 121.14 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -58.63 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -97.87 155.68 36.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.1 tt -88.2 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -108.81 126.53 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -124.3 116.95 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 142.73 16.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.77 -48.87 79.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -127.34 91.83 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.9 t -157.98 137.28 11.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -94.85 79.04 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.6 t -80.21 125.71 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -94.14 139.52 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.95 -91.83 0.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 41.38 -102.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.6 m -71.14 81.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 130.54 138.98 4.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 168.19 22.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.7 p -39.72 149.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -119.52 134.76 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 m -50.55 -48.85 57.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -57.07 -53.05 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.8 165.52 13.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.4 t -92.16 -51.85 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.7 m -155.78 121.59 5.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.44 -61.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.5 mtp -150.97 163.24 39.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -70.68 143.12 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 51' ' ' HIS . 28.9 t70 -83.43 158.35 22.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' ASP . 1.6 t-80 -35.43 -42.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.44 90.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.35 119.39 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.5 mt -111.45 135.0 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 30.4 ttpt -97.71 91.82 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.9 123.22 23.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -94.82 119.43 33.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.0 mm -102.99 140.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.18 -179.04 16.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.41 ' C ' ' HE1' ' A' ' 124' ' ' MET . 21.4 mm100 60.92 54.78 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.3 mt -130.49 132.82 24.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.503 ' O ' ' CE1' ' A' ' 94' ' ' HIS . 53.6 Cg_endo -69.79 162.56 41.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.519 ' HB3' ' CG ' ' A' ' 94' ' ' HIS . 4.9 ptp180 -92.93 44.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.04 11.25 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.5 mt -100.82 176.49 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -140.15 174.22 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' CD ' HG22 ' A' ' 85' ' ' VAL . 14.8 mp0 -75.49 -39.46 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -71.94 -19.88 61.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.79 -22.06 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.7 mt -95.88 -33.14 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.1 tttt -52.12 -44.68 93.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.95 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 mt -38.78 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CD1' HD21 ' A' ' 100' ' ' LEU . 52.2 m-85 -57.12 -58.06 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 32.7 tt0 -36.17 -30.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 74' ' ' PHE . 8.1 tp10 -72.9 -45.81 56.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 74' ' ' PHE . 12.5 m-85 -76.49 -44.53 34.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.23 148.56 20.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -70.51 89.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.727 0.299 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 65.1 mt -42.75 137.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.506 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 45.9 t80 -104.88 -38.2 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -160.85 112.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 tp -105.76 137.65 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.0 m -143.82 122.78 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.415 HG22 ' CD ' ' A' ' 67' ' ' GLU . 98.9 t -88.7 95.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.0 mt -48.78 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -135.76 136.06 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.4 t0 -79.54 175.07 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.25 -3.74 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -105.03 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 92' ' ' GLY . 5.7 t -129.2 -33.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -75.03 46.99 1.86 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' GLY . 7.4 mtt -33.46 -49.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.519 ' CG ' ' HB3' ' A' ' 63' ' ' ARG . 18.8 t-80 -135.0 74.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.7 mtmt -33.99 -44.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.56 45.22 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.7 p -172.76 172.78 4.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.78 148.11 18.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 6.0 m-85 -100.08 129.39 46.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' ' 74' ' ' PHE . 15.2 tp -122.78 146.41 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.9 m -133.99 127.3 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 19.6 m-85 -98.7 138.31 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 23.7 m -52.29 -44.76 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -110.69 141.67 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -56.66 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 109' ' ' LEU . 24.9 tt0 -43.3 -52.89 5.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 t -39.48 -43.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.47 -42.76 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 106' ' ' GLU . 21.9 mt -57.18 -51.29 69.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 54.8 mttp -50.21 -63.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.55 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.55 -62.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.0 m -75.4 -1.82 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.541 ' C ' ' NE2' ' A' ' 118' ' ' GLN . . . -106.0 -19.97 13.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.462 ' N ' ' NE2' ' A' ' 118' ' ' GLN . 70.6 mt -114.81 -43.36 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -46.97 127.84 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 41.9 47.9 3.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.541 ' NE2' ' C ' ' A' ' 114' ' ' ALA . 1.4 mt-30 -134.93 -42.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 146.53 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.5 m -123.83 138.19 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.7 155.08 71.06 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.17 6.99 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.21 25.27 22.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.41 ' HE1' ' C ' ' A' ' 60' ' ' GLN . 66.6 mmm -140.19 111.97 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -59.42 -31.04 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.474 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 28.3 ttm180 -100.19 139.54 20.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.7 Cg_endo -69.73 162.64 41.26 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.2 tt -64.89 125.72 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -99.0 129.61 45.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.3 t -126.87 109.16 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -138.59 141.11 29.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 113.96 3.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.71 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -133.02 96.53 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.441 ' O ' ' CD ' ' A' ' 136' ' ' GLU . 70.7 p -118.2 107.03 13.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 135' ' ' SER . 10.3 mp0 -140.82 131.78 26.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.4 t -94.99 80.79 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -111.91 165.46 12.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -109.7 -169.56 20.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.54 98.28 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.2 t -53.66 124.4 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -59.41 -172.59 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -48.58 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.1 t 47.67 42.17 14.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 p -62.63 162.7 10.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t -121.06 168.13 11.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 t -153.15 166.83 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.71 91.35 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.1 t -61.68 -51.22 69.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 m -119.81 166.27 13.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.15 -62.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.4 mmt -63.61 143.25 57.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -65.07 150.64 47.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 51' ' ' HIS . 3.0 m-20 -60.11 158.54 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' ASP . 4.0 p80 -34.61 -45.78 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -132.6 115.16 15.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.72 177.26 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 105' ' ' ARG . 50.6 mt -127.9 121.54 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -83.54 92.26 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 112' ' ' GLN . 19.0 mt -74.82 116.4 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -88.39 126.16 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 61' ' ' ILE . 11.0 mm -110.67 134.98 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.67 172.75 22.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 71.1 45.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.46 ' CD1' HG22 ' A' ' 58' ' ' ILE . 87.6 mt -127.92 132.97 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.143 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD3' ' CG ' ' A' ' 124' ' ' MET . 53.8 Cg_endo -69.79 150.2 67.7 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 41.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -123.28 2.75 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.8 mt -100.6 179.59 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.79 173.52 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' HG23 ' A' ' 85' ' ' VAL . 23.8 mt-10 -69.87 -36.61 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 57.1 tttt -73.28 -15.62 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.82 -19.78 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.3 mt -101.46 -31.45 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.636 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 45.1 tttp -59.45 -42.03 90.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 110.931 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.7 Cg_exo -48.02 -63.04 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -43.28 -72.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.507 ' CG ' HD22 ' A' ' 100' ' ' LEU . 71.2 m-85 -53.12 -60.49 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 3.8 tp10 -40.2 -25.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.3 tt0 -72.11 -47.44 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' PHE . 32.2 m-85 -73.77 -44.41 56.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.93 157.33 25.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -79.76 91.03 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 80.6 mt -44.13 154.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.114 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CD1' ' HB3' ' A' ' 49' ' ' LYS . 25.7 t80 -110.77 -36.84 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -164.02 112.74 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 100' ' ' LEU . 30.8 tp -96.97 134.62 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.0 m -145.67 111.3 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.45 HG23 ' CG ' ' A' ' 67' ' ' GLU . 73.3 t -85.24 101.06 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 99' ' ' PHE . 59.4 mt -42.59 119.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -136.47 133.1 36.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.41 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.3 t70 -95.31 179.4 5.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 28.6 ttm180 -124.61 8.23 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.25 -75.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.1 t -122.36 -41.44 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -78.29 41.74 2.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' GLY . 4.3 mtt -35.77 -36.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -125.33 -23.21 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' GLY . 28.0 mtmm 56.6 25.08 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.6 57.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.0 p -174.97 172.43 2.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.3 23.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.563 ' CE2' HD11 ' A' ' 86' ' ' LEU . 4.1 m-85 -105.62 135.29 47.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.542 HD23 ' CE2' ' A' ' 102' ' ' TYR . 13.8 tp -124.17 145.5 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.7 m -130.14 117.04 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.542 ' CE2' HD23 ' A' ' 100' ' ' LEU . 10.6 m-85 -95.14 127.0 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 19.2 m -45.92 -59.25 2.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -91.77 106.41 18.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.501 ' HD2' ' N ' ' A' ' 106' ' ' GLU . 2.3 ppt_? -40.95 -41.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 11.3 pt-20 -66.22 -54.7 22.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.5 p -46.76 -34.41 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB3' ' CD2' ' A' ' 102' ' ' TYR . . . -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.16 -36.17 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.09 -67.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.91 -34.71 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.418 ' CD ' HD22 ' A' ' 56' ' ' LEU . 27.1 mt-30 -51.75 -59.09 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.4 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 2.4 t -77.4 -17.54 58.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.42 -25.31 42.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.415 HD11 ' CE1' ' A' ' 74' ' ' PHE . 39.0 mt -106.91 -48.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.464 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 69.9 t60 -43.76 133.9 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' HIS . 46.5 mm-40 36.22 33.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' HIS . 1.6 mt-30 -125.78 -36.71 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.408 ' O ' ' CG2' ' A' ' 128' ' ' ILE . 8.3 ttmm -126.39 137.38 53.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.0 m -118.38 128.41 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.405 ' CD1' HG12 ' A' ' 61' ' ' ILE . 47.3 mt -75.52 150.98 84.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.1 7.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.23 -28.27 7.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.411 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 67.6 mmm -102.78 126.55 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.5 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -91.08 154.13 44.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 172.97 11.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 119' ' ' LYS . 18.8 tt -80.56 134.07 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -99.78 131.55 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 58' ' ' ILE . 58.9 t -138.96 112.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.464 ' HD3' ' CE1' ' A' ' 116' ' ' HIS . 20.5 mmmt -146.04 151.98 46.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 131.79 22.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.72 102.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -166.46 170.37 12.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 95.0 p -108.63 -46.12 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -85.77 171.34 11.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.9 m -84.42 109.24 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.71 -54.76 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -98.5 140.07 14.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.72 138.47 6.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.8 t -53.07 -57.41 10.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 70.48 -158.26 53.59 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 -44.83 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.24 . . . . 0.0 112.302 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 52.4 m 51.5 42.54 29.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.8 m -78.18 -49.64 13.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m -86.96 -55.6 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 p -97.02 153.88 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.04 99.75 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 m -48.44 -49.38 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 m -77.15 139.89 40.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.21 119.27 6.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -118.48 126.36 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 33.8 pttt -127.27 144.73 50.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.81 174.12 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.437 ' C ' ' ND1' ' A' ' 51' ' ' HIS . 1.5 t-80 -71.99 -44.08 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -82.6 97.75 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.15 167.21 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.3 mt -129.26 111.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.507 ' HE3' ' CG ' ' A' ' 99' ' ' PHE . 9.3 tttp -80.62 104.15 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.492 ' CD2' ' OE1' ' A' ' 112' ' ' GLN . 91.9 mt -78.04 156.19 30.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.2 119.83 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.426 ' CD1' HG22 ' A' ' 130' ' ' VAL . 8.8 mm -106.52 137.4 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.67 -175.61 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.98 54.99 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.5 mt -126.07 124.56 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 158.02 58.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.72 4.06 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.1 mt -101.5 171.31 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.23 158.26 44.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 11.2 mt-10 -58.68 -42.29 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 17.5 tptt -73.59 -21.54 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.94 -17.28 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.434 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 31.0 mt -101.03 -37.76 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -52.71 -44.18 94.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.9 Cg_exo -48.05 -63.34 0.32 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.646 2.23 . . . . 0.0 112.32 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.6 mt -40.31 -70.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' PHE . 97.0 m-85 -49.79 -51.4 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.493 ' N ' HD13 ' A' ' 80' ' ' ILE . 12.4 tt0 -37.79 -35.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -70.76 -43.13 69.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 28.7 m-85 -72.01 -45.09 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.51 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.7 158.61 26.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -80.66 73.0 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 75' ' ' GLU . 71.4 mt -41.38 152.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.469 ' CE2' ' HG2' ' A' ' 49' ' ' LYS . 22.0 t80 -114.88 -34.42 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -168.44 113.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.8 tp -99.77 144.7 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.9 m -149.86 116.71 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 84.0 t -89.16 114.88 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.486 HD11 ' CE2' ' A' ' 99' ' ' PHE . 84.9 mt -55.06 104.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -131.07 112.77 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.429 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -60.29 163.32 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -113.78 -1.02 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -105.28 -75.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -129.93 -28.22 2.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.429 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.89 41.28 2.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.5 mtt -59.94 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 95' ' ' LYS . 1.8 t-80 71.64 54.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 94' ' ' HIS . 9.8 mtmm -33.33 -64.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.39 36.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.4 p -156.17 174.85 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.11 155.92 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.507 ' CG ' ' HE3' ' A' ' 55' ' ' LYS . 5.4 m-85 -108.14 135.04 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.8 tp -122.8 139.98 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.9 m -126.62 121.24 31.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 2.0 m-85 -104.18 136.51 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.5 t -48.24 -60.99 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -93.25 168.18 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 105' ' ' ARG . 14.2 mtp-105 -84.83 -56.9 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -44.11 -55.27 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.5 p -40.75 -53.73 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.83 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 mt -46.84 -43.48 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -54.73 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.07 -31.71 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.492 ' OE1' ' CD2' ' A' ' 56' ' ' LEU . 6.3 tt0 -54.8 -45.04 74.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.8 m -96.35 -19.42 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.38 -23.27 43.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.44 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 62.6 mt -105.5 -45.2 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.449 ' NE2' ' OE2' ' A' ' 117' ' ' GLU . 84.4 t60 -51.85 135.04 30.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' NE2' ' A' ' 116' ' ' HIS . 59.6 mt-10 36.38 40.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -122.2 -44.14 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -126.21 146.96 49.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.9 m -117.78 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 74.6 mt -74.53 154.59 87.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 123.39 10.06 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.46 27.8 31.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mmm -140.24 115.62 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -63.04 -28.89 70.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -100.09 134.98 20.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.424 HD13 ' CG2' ' A' ' 58' ' ' ILE . 15.5 tt -63.42 130.64 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -104.83 146.82 28.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.426 HG22 ' CD1' ' A' ' 58' ' ' ILE . 24.5 t -144.6 122.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.74 152.55 48.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 102.62 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.737 2.291 . . . . 0.0 112.345 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . -43.51 -52.37 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.15 134.35 36.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 136' ' ' GLU . 47.4 t -136.9 114.56 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 135' ' ' SER . 12.8 pt-20 34.45 39.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.8 t -84.47 83.98 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -173.97 155.6 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 130.02 158.3 9.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -110.96 152.29 17.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.6 m -108.0 133.29 52.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 141.15 67.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.58 34.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.32 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.4 t -121.58 176.82 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 t -152.22 139.59 19.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -134.87 -53.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.2 m -83.95 130.7 34.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 174.84 93.07 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.6 t -133.53 152.87 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -59.87 -44.51 94.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.35 52.89 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.426 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -138.33 145.13 40.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 48' ' ' MET . 8.2 ptpp? -55.41 161.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.71 177.09 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -39.81 -50.24 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -113.88 124.79 53.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.03 113.71 25.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.1 mt -99.59 137.36 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.97 123.63 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.3 mt -93.48 121.62 35.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -87.77 129.58 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.462 HG23 ' CD1' ' A' ' 61' ' ' ILE . 20.3 mm -112.71 135.5 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.47 16.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 60.2 54.99 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.462 ' CD1' HG23 ' A' ' 58' ' ' ILE . 71.7 mt -132.16 126.83 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 151.36 68.84 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.309 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.512 ' HA ' ' CG ' ' A' ' 94' ' ' HIS . 7.5 ptp85 -79.53 43.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 64' ' ' ASN . 3.2 t30 -126.01 2.83 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 mt -100.46 173.7 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.19 153.64 46.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 85' ' ' VAL . 28.0 mt-10 -51.39 -42.2 61.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 38.2 tttp -64.27 -26.37 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.86 7.44 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.15 -37.19 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.3 ttpp -62.29 -43.29 84.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.0 Cg_exo -47.88 -53.12 7.06 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.3 mt -52.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.539 ' CE1' HD11 ' A' ' 115' ' ' LEU . 80.5 m-85 -52.26 -55.31 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' N ' HD13 ' A' ' 80' ' ' ILE . 9.6 tt0 -38.1 -46.12 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.21 -39.52 79.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' PHE . 33.8 m-85 -76.54 -45.19 31.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.442 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.79 166.94 26.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -80.46 118.74 22.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 81' ' ' TYR . 82.5 mt -92.19 136.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.462 ' N ' HG21 ' A' ' 80' ' ' ILE . 22.3 t80 -101.76 -41.11 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.7 tt0 -160.32 121.24 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.1 tp -103.65 144.26 31.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -144.67 118.89 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.46 HG23 ' CG ' ' A' ' 67' ' ' GLU . 90.8 t -92.31 97.97 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.561 HD13 ' CE2' ' A' ' 99' ' ' PHE . 78.5 mt -37.19 109.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -126.76 137.4 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.57 -27.35 61.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 56.17 24.92 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -134.98 -73.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 t -135.04 -39.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.15 30.29 2.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' GLY . 8.2 ptt? -36.74 119.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 63' ' ' ARG . 7.5 t-80 70.75 54.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.8 mttt -32.73 -64.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.0 35.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.8 p -164.76 175.52 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.03 145.74 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.561 ' CE2' HD13 ' A' ' 86' ' ' LEU . 7.3 m-85 -101.96 122.0 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 74' ' ' PHE . 31.7 tp -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.0 m -119.51 112.84 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 4.8 m-85 -96.52 130.08 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.83 -65.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -73.88 168.02 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -83.48 -56.34 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 109' ' ' LEU . 56.9 mt-10 -62.29 -44.79 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.4 p -39.55 -37.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.518 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -68.95 -43.43 75.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' GLU . 23.3 mt -55.04 -50.74 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 76.1 mttt -46.36 -67.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.95 67.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.421 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 12.3 tt0 -58.48 -63.81 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -73.6 -24.19 60.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.36 -32.68 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.539 HD11 ' CE1' ' A' ' 74' ' ' PHE . 26.4 mt -96.15 -46.89 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 117' ' ' GLU . 68.3 t60 -43.82 130.3 5.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 116' ' ' HIS . 16.5 mm-40 35.66 45.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -133.69 -42.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -115.44 156.86 24.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.0 m -138.37 119.62 14.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.18 150.64 97.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 118.93 5.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.81 -27.35 7.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mmm -100.2 122.4 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -59.63 -37.0 77.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -92.46 156.06 41.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.531 0.682 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.234 . . . . 0.0 112.351 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 58' ' ' ILE . 16.3 tt -97.78 140.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -104.1 133.98 48.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 50.1 t -138.12 111.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -144.05 153.14 56.45 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.421 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.78 127.42 14.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.29 90.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -118.22 76.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.0 t -118.15 -54.91 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -87.57 152.0 22.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.0 p -127.22 84.41 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 138' ' ' ARG . 0.0 OUTLIER -57.08 -56.69 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 62.1 -131.65 45.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -172.62 88.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.3 t -71.15 -60.71 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 78.93 92.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.98 29.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.1 t -109.12 89.09 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 146' ' ' GLY . 24.8 p -107.77 140.22 41.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 145' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 m -116.68 107.22 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 p -57.29 -14.73 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.91 105.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.0 p -172.63 158.23 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.385 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -154.51 168.65 25.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.01 -144.85 4.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -73.2 170.56 14.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -56.26 143.38 34.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.22 164.85 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -40.56 -41.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -118.43 113.51 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.36 128.1 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 105' ' ' ARG . 84.7 mt -101.58 131.69 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 5.9 pttm -98.88 116.6 31.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.9 mt -81.12 131.42 35.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -101.29 111.13 23.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.425 ' CG2' HD11 ' A' ' 61' ' ' ILE . 8.8 mm -100.75 140.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.57 -175.33 13.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 58.21 54.92 5.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.473 ' CG2' HD12 ' A' ' 65' ' ' LEU . 59.5 mt -132.03 127.2 20.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 159.64 52.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -86.54 42.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -123.71 1.43 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 61' ' ' ILE . 49.5 mt -100.97 173.18 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.08 158.82 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.466 ' CG ' HG21 ' A' ' 85' ' ' VAL . 29.4 mt-10 -58.43 -34.33 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -75.1 -12.42 60.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -108.69 -8.91 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.1 mt -108.55 -36.22 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 41.6 tttt -58.33 -42.91 97.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.97 -63.06 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -42.32 -68.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . 87.4 m-85 -49.8 -55.33 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -37.13 -33.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.19 -56.73 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.73 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.536 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.73 155.91 25.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.22 76.81 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 70.0 mt -37.92 157.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 81' ' ' TYR . 5.2 t80 -121.08 -33.52 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -171.9 113.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.09 134.16 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.9 m -133.88 119.37 19.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.466 HG21 ' CG ' ' A' ' 67' ' ' GLU . 54.8 t -83.22 125.08 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 99' ' ' PHE . 64.5 mt -77.32 105.51 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.59 151.34 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.0 t0 -89.68 174.11 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -126.58 1.34 6.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -112.08 -71.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.45 HG21 ' N ' ' A' ' 92' ' ' GLY . 9.5 t -127.14 -30.67 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.27 45.61 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 92' ' ' GLY . 20.5 ptm -33.49 -43.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 6.5 t-80 -146.42 106.43 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -68.94 -49.14 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.94 46.1 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.4 p -173.88 173.75 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.92 152.14 26.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.431 ' CD2' HD13 ' A' ' 86' ' ' LEU . 9.8 m-85 -103.66 126.62 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 102' ' ' TYR . 35.9 tp -113.16 149.81 33.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.1 m -126.26 107.83 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE2' HD21 ' A' ' 100' ' ' LEU . 3.7 m-85 -92.59 123.88 36.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 63.1 m -38.75 -68.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.8 112.06 20.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.507 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -44.58 -42.88 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.476 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 37.8 tt0 -59.37 -50.46 73.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -43.57 -45.25 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.38 -40.23 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.5 mt -54.63 -32.54 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -66.2 -69.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.9 -32.02 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.412 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 34.1 mt-30 -46.81 -61.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.3 t -81.17 -19.96 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -75.8 -17.21 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.9 mt -113.8 -48.97 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -45.99 122.34 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 50.69 37.42 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -133.69 -39.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 128' ' ' ILE . 17.1 tptp -110.53 126.55 54.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.4 m -119.7 121.31 38.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 24.8 mt -73.63 151.21 89.18 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 114.58 3.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.07 -15.0 16.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 mmm -110.98 111.18 22.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -58.24 -26.34 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 39.2 ttt85 -96.56 139.7 21.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.9 Cg_endo -69.82 156.09 64.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 119' ' ' LYS . 16.2 tt -65.91 144.1 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -112.63 137.57 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.85 117.06 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -144.27 141.01 17.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.412 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.77 120.62 7.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.408 ' CB ' ' HE2' ' A' ' 55' ' ' LYS . . . -60.22 -57.02 14.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -55.39 167.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 41.0 t -161.55 111.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.25 176.64 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 78.0 p -142.27 156.97 45.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.85 167.95 18.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.87 143.5 13.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -50.77 119.8 8.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.8 t -110.9 162.81 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -73.03 141.21 29.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 134.12 27.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 79.1 p -74.23 171.84 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 61.1 p -163.76 149.14 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -142.55 140.37 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.6 p 37.92 42.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -99.97 121.07 7.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 m -82.47 129.27 34.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.2 m -56.83 -54.11 50.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.49 -129.88 6.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.1 ptp -171.66 142.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -68.83 124.58 24.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -81.53 -55.74 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -107.06 160.29 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -44.7 119.58 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.78 137.96 46.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.3 mt -111.51 134.09 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -88.79 88.21 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.74 123.88 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.44 113.84 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.455 ' CD1' HG13 ' A' ' 130' ' ' VAL . 16.1 mm -97.95 133.23 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.49 -169.79 12.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 127' ' ' PRO . 79.2 mt-30 55.7 54.97 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.969 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 121' ' ' LEU . 67.1 mt -133.02 130.66 21.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -172.39 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 47.4 ttp85 -111.95 45.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -133.9 10.09 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 61' ' ' ILE . 89.9 mt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -140.2 154.38 46.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' CG ' HG23 ' A' ' 85' ' ' VAL . 80.5 mt-10 -54.55 -40.04 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -72.33 -19.0 61.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -91.36 -25.83 19.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 38.1 mt -91.89 -35.83 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 25.2 tttp -50.75 -44.86 85.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.907 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.99 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -38.28 -73.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 76' ' ' GLU . 52.7 m-85 -56.27 -58.2 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 74' ' ' PHE . 7.6 tt0 -35.75 -31.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' PHE . 27.2 tt0 -73.11 -50.45 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 10.0 m-85 -68.49 -45.4 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.0 160.93 27.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -80.66 88.65 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.0 mt -41.63 153.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CD1' HG22 ' A' ' 101' ' ' THR . 15.8 t80 -113.47 -34.14 5.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -174.89 112.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.1 tp -97.78 140.17 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.8 m -148.68 110.62 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.445 HG23 ' CG ' ' A' ' 67' ' ' GLU . 91.5 t -68.2 136.12 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 HD23 ' CE2' ' A' ' 99' ' ' PHE . 43.0 mt -89.94 98.29 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.72 143.19 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.419 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 3.1 t70 -87.17 175.53 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -126.93 0.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -109.88 -65.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -133.54 -31.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.419 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -80.62 36.43 2.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 76.3 mtm -52.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.518 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 8.4 t-80 71.23 53.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' HIS . 23.1 mtmt -32.92 -64.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.22 42.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.1 p -159.92 173.77 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.88 153.25 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 6.1 m-85 -99.92 132.02 45.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.92 144.47 48.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.406 HG22 ' CD1' ' A' ' 81' ' ' TYR . 87.8 m -127.37 113.82 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -87.23 132.5 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.8 m -54.34 -40.82 68.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -110.63 158.81 18.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -79.82 -44.83 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.92 -53.74 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.8 p -42.65 -37.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.32 90.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.9 mt -55.66 -51.36 67.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -53.48 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.8 -35.95 64.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -56.74 -58.95 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -76.4 -21.05 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.77 -28.28 50.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.4 mt -104.06 -52.66 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' GLU . 72.7 t60 -42.6 127.67 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' HIS . 26.5 mt-10 37.15 45.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.2 -47.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 120' ' ' THR . 39.7 tttp -114.15 153.42 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 20.2 m -125.03 144.6 50.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 61' ' ' ILE . 76.7 mt -87.85 154.67 52.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 104.43 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.226 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 107.46 21.61 7.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 60' ' ' GLN . 13.5 mtp -132.9 105.08 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -45.8 -38.55 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -100.15 155.11 36.79 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.421 ' O ' ' CD ' ' A' ' 60' ' ' GLN . 54.0 Cg_endo -69.77 -167.43 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 14.4 tt -99.86 134.21 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -98.74 140.12 33.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 58' ' ' ILE . 45.2 t -137.59 111.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.48 29.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.72 19.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.496 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . -53.62 -51.79 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.01 140.96 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 m -114.51 161.14 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -101.03 143.38 31.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 70.9 p -136.41 106.43 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -87.33 101.25 13.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -89.55 56.63 3.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -165.15 81.47 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -114.47 117.45 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 137.47 85.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 115.62 4.17 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 20.2 m -120.32 95.18 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 p -88.88 173.46 8.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.7 t -112.27 162.85 15.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 99.6 p -117.07 158.32 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.17 92.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.2 p -83.03 50.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.3 m -46.98 -42.07 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.01 -162.15 32.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 48.0 mtm -44.18 122.01 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 8.2 mtmm -85.31 50.86 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -133.61 29.17 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -81.43 95.86 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 63.95 32.69 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 176.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' ' HG2' ' A' ' 105' ' ' ARG . 24.2 mt -141.99 128.29 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' ALA . 18.2 mtmt -78.17 99.62 6.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.0 mt -83.28 111.71 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 2.4 t80 -90.94 122.11 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 mm -108.07 139.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.61 177.93 16.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 61.16 54.44 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -123.92 122.6 26.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 154.27 67.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.358 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 11.6 ptp180 -80.95 41.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -129.46 7.81 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.9 mt -100.66 172.26 7.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.67 158.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 31.3 mp0 -60.54 -42.43 96.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.21 -14.23 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.92 -16.0 22.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.4 mt -106.52 -24.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -58.52 -43.9 98.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.98 -63.55 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 31.2 mt -42.1 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -50.92 -49.21 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 80' ' ' ILE . 31.2 tt0 -51.99 -21.83 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -78.29 -41.28 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -78.69 -44.38 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.9 161.23 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -80.36 92.95 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 75' ' ' GLU . 58.9 mt -55.7 141.79 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 22.4 t80 -103.05 -37.6 7.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -167.57 114.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -100.58 141.93 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 66.9 m -144.58 118.62 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 47.3 t -87.76 114.59 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.529 HD13 ' CE2' ' A' ' 99' ' ' PHE . 54.8 mt -65.29 85.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -137.73 104.98 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 11.9 t0 -61.74 174.27 0.84 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.63 6.44 6.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -114.53 -61.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.7 t -133.17 -41.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.4 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.11 42.06 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.2 tpt -59.5 109.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LYS . 12.7 t-80 55.18 54.96 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.2 mtpt -34.18 -49.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.02 46.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 p -172.78 177.97 2.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.23 156.26 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.529 ' CE2' HD13 ' A' ' 86' ' ' LEU . 2.8 m-85 -112.41 128.62 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.3 tp -120.37 146.64 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.2 m -130.53 121.47 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -105.14 132.33 51.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.2 t -45.55 -56.29 5.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -86.61 165.43 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 54' ' ' ILE . 5.0 tmm_? -85.79 -63.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 107' ' ' SER . 47.1 mm-40 -52.85 -47.1 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 106' ' ' GLU . 47.9 t -34.33 -52.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.43 -48.63 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' GLU . 36.0 mt -47.07 -43.16 19.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -55.89 -62.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.14 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.457 ' NE2' ' HD3' ' A' ' 132' ' ' PRO . 36.6 mt-30 -70.18 -71.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -59.94 -13.19 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -89.31 -55.36 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.24 -46.7 32.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -42.02 129.23 3.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 43.7 49.98 6.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -133.48 -45.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -114.8 159.31 20.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.8 m -134.23 108.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.8 mt -57.2 148.46 52.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.341 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.86 -17.67 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.4 mmm -105.46 120.94 42.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.33 -32.21 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -99.68 158.62 31.8 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -169.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 7.6 tt -94.51 133.77 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -105.42 124.42 49.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.7 t -125.3 119.73 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -145.95 154.38 50.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.457 ' HD3' ' NE2' ' A' ' 112' ' ' GLN . 53.4 Cg_endo -69.76 157.67 59.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . -97.48 -173.81 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.7 t70 58.99 40.5 22.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.6 m -66.16 -57.63 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 55.2 46.89 22.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 85.2 p -72.73 133.94 44.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -156.58 118.32 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 136.47 -104.29 0.47 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 77.89 69.1 1.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.6 p -169.67 163.05 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 138.46 83.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -2.91 11.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 35.2 t -95.37 41.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.8 m -127.52 126.81 42.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.2 p -52.99 174.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.6 m -122.13 -61.08 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.32 149.51 12.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 t -108.38 161.09 15.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 p -121.28 147.76 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.31 103.4 0.29 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.8 ttt -144.26 138.24 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . 1.2 tmtm? -81.62 116.78 21.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.81 -43.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -80.87 176.33 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -54.46 98.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.5 121.64 15.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.7 mt -86.18 137.25 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -93.98 93.23 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.4 mt -73.57 123.47 24.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -95.5 115.44 27.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 130' ' ' VAL . 5.3 mm -105.72 128.43 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.517 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . -111.38 -145.28 10.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 3.6 pp0? 34.83 38.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 65' ' ' LEU . 16.2 mt -114.59 116.95 43.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 168.03 22.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 31.1 ptt180 -87.78 42.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.84 10.49 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 61' ' ' ILE . 97.4 mt -100.21 178.02 4.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -139.92 166.57 24.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -70.78 -30.89 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' CD ' ' A' ' 72' ' ' PRO . 26.4 mmtm -89.02 -15.82 33.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.24 -12.83 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 22.4 mt -103.42 -38.4 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 24.3 ttmt -52.35 -44.76 94.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -48.02 -58.8 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 mt -45.54 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.5 ' CG ' HD23 ' A' ' 100' ' ' LEU . 74.7 m-85 -49.33 -50.06 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -45.47 -21.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -74.07 -38.72 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 114' ' ' ALA . 39.0 m-85 -86.85 -43.72 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.52 143.95 14.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 82.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 74' ' ' PHE . 81.3 mt -41.23 153.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CD2' ' HB3' ' A' ' 49' ' ' LYS . 29.2 t80 -115.92 -36.17 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.66 133.46 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.3 tp -126.34 145.77 50.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.0 m -149.66 108.76 3.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 87' ' ' LYS . 25.1 t -79.37 100.35 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD22 ' CE2' ' A' ' 99' ' ' PHE . 53.4 mt -41.42 91.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' VAL . 6.3 ptmm? -129.34 116.68 19.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.98 177.19 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -124.64 6.61 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -114.91 -73.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.8 t -118.37 -40.02 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -78.85 41.21 2.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.463 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -35.43 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.481 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 58.6 t-80 -159.04 108.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -81.75 157.92 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.58 45.17 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.0 p -175.07 175.41 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.09 169.01 25.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.428 ' CE2' HD22 ' A' ' 86' ' ' LEU . 8.6 m-85 -116.01 126.48 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.549 HD21 ' CE2' ' A' ' 102' ' ' TYR . 33.4 tp -118.49 150.8 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.4 m -127.81 128.78 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CE2' HD21 ' A' ' 100' ' ' LEU . 10.8 m-85 -105.71 142.55 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.96 -47.39 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -118.34 155.73 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -68.6 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -39.35 -59.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.2 m -39.63 -47.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.33 -42.11 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.2 -42.52 77.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.63 -60.89 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.05 -35.51 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 21.9 mt-30 -55.21 -54.96 36.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.0 t -78.18 -23.15 47.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.76 -20.24 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.472 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 44.3 mt -113.53 -52.06 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 67.8 t60 -46.95 115.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 53.07 45.2 29.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -126.51 -39.39 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.472 ' HE3' ' CD2' ' A' ' 115' ' ' LEU . 5.6 ptpt -127.31 179.87 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.2 m -140.3 111.56 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.03 149.39 86.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 119.61 6.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 108.32 -8.09 35.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mmm -115.15 121.39 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -61.21 -34.23 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -93.32 162.16 28.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -167.22 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.477 HG13 ' NE2' ' A' ' 60' ' ' GLN . 1.4 tt -91.31 150.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 128' ' ' ILE . 1.4 mp0 -129.41 120.65 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 58' ' ' ILE . 59.6 t -128.16 127.33 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -151.76 142.29 15.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 116.81 4.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -41.68 97.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.08 168.69 19.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.0 t -97.63 83.64 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.26 -31.24 67.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.3 t -107.02 84.41 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.12 134.97 53.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.04 140.45 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 96.65 -177.66 33.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.6 p -167.4 125.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -146.4 84.8 0.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.46 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.1 p -142.26 147.38 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.9 t -125.03 171.53 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.8 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.927 0.394 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 14.5 ttmm -86.42 94.2 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD11 ' HB1' ' A' ' 108' ' ' ALA . 26.6 mt -74.46 121.37 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -94.69 114.3 26.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.665 HG21 HD11 ' A' ' 128' ' ' ILE . 6.1 mm -101.72 137.17 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.08 175.53 20.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG3' ' HE3' ' A' ' 124' ' ' MET . 13.9 tp60 72.22 42.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.699 ' CG2' HD12 ' A' ' 65' ' ' LEU . 53.3 mt -125.65 134.29 25.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.73 154.98 67.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -86.73 41.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.96 6.77 6.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.699 HD12 ' CG2' ' A' ' 61' ' ' ILE . 78.4 mt -100.14 178.9 4.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -140.13 154.89 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.631 ' CG ' HG23 ' A' ' 85' ' ' VAL . 27.0 mt-10 -58.73 -38.15 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 34.2 mtmm -73.05 -10.83 60.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.1 -20.2 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 29.9 mt -100.66 -37.76 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.623 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -55.41 -43.43 99.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.889 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.99 -63.16 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.4 mt -43.63 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.822 ' HB2' HD11 ' A' ' 80' ' ' ILE . 78.4 m-85 -49.62 -42.53 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -50.9 -37.74 45.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -64.27 -25.65 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -91.87 -44.61 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.2 160.24 26.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -80.49 74.32 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.822 HD11 ' HB2' ' A' ' 74' ' ' PHE . 67.5 mt -43.57 139.56 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -102.69 -38.67 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -157.15 134.97 10.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 99' ' ' PHE . 27.7 tp -126.06 135.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 m -141.7 127.5 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' CG ' ' A' ' 67' ' ' GLU . 59.5 t -97.39 109.2 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.589 HD11 ' CE2' ' A' ' 99' ' ' PHE . 46.2 mt -49.52 103.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -136.13 105.13 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.422 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.3 t70 -63.55 168.96 4.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -117.77 -0.58 11.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -105.89 -71.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.2 t -127.33 -32.07 2.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.74 39.38 2.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.434 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -33.86 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.848 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' GLY . 49.4 t-80 -151.27 110.54 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.6 mttp -83.34 35.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.23 44.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' HD12 ' A' ' 86' ' ' LEU . 27.2 p -161.66 172.94 15.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.15 152.69 26.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.8 m-85 -103.7 135.26 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.402 HD13 HD13 ' A' ' 83' ' ' LEU . 24.3 tp -126.79 140.96 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.7 m -126.21 114.88 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -91.52 135.43 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 p -55.92 -51.18 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -97.29 132.35 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -58.57 -51.28 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -54.43 -54.93 34.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.0 t -38.97 -58.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -39.49 -50.08 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.3 mt -49.6 -46.79 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -55.8 -65.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.86 -34.81 42.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -59.27 -63.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -68.88 -22.84 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.29 -34.91 55.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 37.5 mt -95.37 -54.84 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' GLU . 60.2 t60 -34.88 137.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' HIS . 11.6 mm-40 34.63 37.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -125.71 -41.3 2.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 128' ' ' ILE . 20.3 mttp -114.04 142.11 46.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.6 m -127.51 109.84 12.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.93 150.41 77.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.589 0.709 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.381 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.14 -21.74 12.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.404 ' HE3' ' HG3' ' A' ' 60' ' ' GLN . 66.1 mmm -102.63 114.52 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -54.86 -34.22 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -98.2 154.21 37.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 -178.44 2.32 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.669 HG22 ' O ' ' A' ' 119' ' ' LYS . 12.7 tt -85.94 129.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.603 HG22 HD12 ' A' ' 58' ' ' ILE . 58.8 t -131.87 118.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.77 142.15 15.25 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.45 45.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.887 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.16 98.56 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.4 mt -76.19 133.41 40.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -104.73 121.34 43.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.783 HD12 HG22 ' A' ' 130' ' ' VAL . 12.0 mm -106.63 134.65 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.35 -178.27 15.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 55.85 53.28 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.616 HG23 HD12 ' A' ' 65' ' ' LEU . 18.6 mt -124.22 128.39 25.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.452 ' HD3' ' CG ' ' A' ' 124' ' ' MET . 53.8 Cg_endo -69.76 162.82 40.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 15.8 ttm180 -88.63 42.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -127.16 6.35 6.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 70' ' ' LEU . 51.5 mt -100.41 166.0 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -139.89 153.72 47.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' CG ' HG23 ' A' ' 85' ' ' VAL . 25.4 mt-10 -52.23 -37.36 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -79.18 -15.65 57.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.57 -1.57 32.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 65' ' ' LEU . 29.8 mt -118.09 -25.05 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.9 ttmp? -62.41 -43.05 83.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.96 -62.58 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -43.76 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' PHE . 65.6 m-85 -52.5 -60.64 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HB2' HD12 ' A' ' 80' ' ' ILE . 8.0 tp10 -39.19 -43.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -61.38 -38.08 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 16.8 m-85 -77.5 -44.48 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.21 164.32 26.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -80.36 82.13 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 81' ' ' TYR . 97.4 mt -40.2 162.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.592 ' N ' HG22 ' A' ' 80' ' ' ILE . 37.6 t80 -131.95 -35.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -166.73 114.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.5 tp -101.98 135.97 42.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -139.39 122.17 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' A' ' 67' ' ' GLU . 98.9 t -96.44 97.42 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.443 ' HB3' ' CD ' ' A' ' 95' ' ' LYS . 48.3 mt -39.03 113.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -139.98 111.79 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.03 179.57 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -127.22 9.05 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.35 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -121.2 -36.18 3.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.19 41.34 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' GLY . 3.2 ttm -33.79 -60.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 62.5 t-80 -124.47 82.86 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' CD ' ' HB3' ' A' ' 86' ' ' LEU . 60.1 mttt -49.5 151.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.12 48.7 3.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p -174.2 170.18 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.01 156.72 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.0 128.12 53.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.452 HD21 ' CE2' ' A' ' 102' ' ' TYR . 13.1 tp -121.5 134.39 55.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -119.38 110.56 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 6.2 m-85 -86.21 131.97 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.1 t -46.69 -55.55 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -98.37 163.31 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -83.67 -57.52 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -44.94 -56.88 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -46.24 -53.71 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -43.79 -37.44 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.24 -53.52 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.56 -50.94 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.77 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.22 -56.34 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.7 m -74.72 -8.26 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.19 -23.9 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.407 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -105.94 -48.09 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -47.51 117.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 45.6 47.09 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -130.59 -43.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.498 ' O ' HG22 ' A' ' 128' ' ' ILE . 19.2 ttmt -123.98 142.22 51.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.6 m -111.06 119.91 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.71 148.57 98.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.9 -17.15 13.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.452 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 70.9 mmm -110.16 125.23 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 125' ' ' ASN . 7.9 t-20 -60.92 -35.91 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -97.54 158.33 33.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -177.51 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.521 HD11 ' CG2' ' A' ' 58' ' ' ILE . 20.4 tt -90.76 131.66 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -102.74 125.15 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.783 HG22 HD12 ' A' ' 58' ' ' ILE . 58.0 t -126.01 115.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -143.21 142.22 21.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' ALA . 53.4 Cg_endo -69.76 111.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.3 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.911 0.386 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 11.4 ttmm -93.75 85.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.728 HD11 ' HB1' ' A' ' 108' ' ' ALA . 46.5 mt -73.55 122.61 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.42 123.18 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.798 HD12 HG22 ' A' ' 130' ' ' VAL . 17.3 mm -108.82 134.37 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.424 ' C ' ' OE1' ' A' ' 60' ' ' GLN . . . -126.16 -174.5 13.88 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 59' ' ' GLY . 24.0 mp0 54.65 53.96 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.571 HG23 HD12 ' A' ' 65' ' ' LEU . 80.7 mt -134.79 127.33 18.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 151.74 69.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 40.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -119.85 0.99 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.571 HD12 HG23 ' A' ' 61' ' ' ILE . 37.5 mt -100.21 172.59 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.07 159.31 42.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.599 ' HG2' HG23 ' A' ' 85' ' ' VAL . 97.4 mt-10 -58.05 -33.29 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -71.7 -14.24 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.17 -15.93 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.6 mt -98.86 -40.48 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 31.9 tttp -56.28 -43.24 99.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.4 Cg_exo -47.97 -63.35 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.4 HD13 ' NZ ' ' A' ' 119' ' ' LYS . 46.7 mt -42.89 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.6 ' HB2' HD11 ' A' ' 80' ' ' ILE . 90.5 m-85 -49.01 -44.54 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HB2' HD12 ' A' ' 80' ' ' ILE . 51.5 tt0 -52.35 -32.78 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -67.88 -30.83 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -87.22 -44.18 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.96 160.4 26.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 4.1 mptt -80.17 81.23 6.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 74' ' ' PHE . 50.9 mt -44.42 142.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 81' ' ' TYR . 5.5 t80 -103.66 -34.27 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -170.74 114.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.4 tp -97.4 145.21 26.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -149.7 116.15 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.599 HG23 ' HG2' ' A' ' 67' ' ' GLU . 37.7 t -96.8 104.11 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 99' ' ' PHE . 25.7 mt -45.05 101.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -133.37 107.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.436 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.2 t70 -63.73 177.98 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -128.58 -2.14 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -106.66 -64.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -134.36 -33.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.03 39.89 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 43.3 mmm -35.23 -39.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -149.2 119.03 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' GLY . 17.7 mtpp -91.27 36.5 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 36.41 47.88 1.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 p -170.44 176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.529 ' HB2' HG13 ' A' ' 85' ' ' VAL . . . -162.93 151.28 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.9 m-85 -102.7 124.48 48.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.525 HD22 ' CD1' ' A' ' 74' ' ' PHE . 20.1 tp -109.13 134.87 51.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.7 m -122.18 115.64 22.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 2.6 m-85 -96.21 160.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.4 p -82.42 -46.66 13.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -109.93 124.37 51.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -48.87 -57.48 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -42.05 -49.42 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.9 m -54.07 -46.28 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.728 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -53.27 -47.3 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.53 -63.47 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -40.04 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.66 -28.9 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.23 -59.86 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -78.33 -25.89 46.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.35 -14.39 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.406 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 32.9 mt -115.84 -44.1 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -45.48 121.62 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 42.9 34.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.49 -42.79 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 120' ' ' THR . 26.9 ttmt -111.85 149.86 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.439 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 28.1 m -130.18 114.91 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.14 151.2 97.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.96 -23.29 10.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.8 mmm -103.36 121.46 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.37 -35.84 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.32 153.22 39.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -176.57 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.594 HD11 ' CG2' ' A' ' 58' ' ' ILE . 18.4 tt -92.55 140.37 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -108.68 131.93 54.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.798 HG22 HD12 ' A' ' 58' ' ' ILE . 36.2 t -131.87 113.14 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.68 142.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 114.68 3.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.892 0.377 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 36.6 ttpt -72.38 90.42 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 108' ' ' ALA . 43.0 mt -73.76 125.36 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.97 131.48 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.54 HD12 HG22 ' A' ' 130' ' ' VAL . 7.3 mm -115.38 137.75 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.77 179.99 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 59.43 54.19 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.766 ' CG2' HD12 ' A' ' 65' ' ' LEU . 65.4 mt -126.95 122.95 23.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.42 66.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 26.0 ttm180 -79.92 43.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.527 ' C ' ' ND2' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -124.78 1.36 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.766 HD12 ' CG2' ' A' ' 61' ' ' ILE . 72.3 mt -100.64 167.85 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.08 151.53 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.21 -38.04 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 7.2 mtmp? -71.3 -24.4 62.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -93.48 -19.39 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.5 mt -93.61 -38.82 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.2 tttt -54.6 -43.63 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.554 0.692 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.2 Cg_exo -48.02 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.297 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.6 mt -42.98 -71.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.967 ' HB2' HD11 ' A' ' 80' ' ' ILE . 72.6 m-85 -49.58 -59.9 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.634 ' HG2' HD12 ' A' ' 80' ' ' ILE . 26.9 mm-40 -36.0 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' PHE . 4.5 tp10 -71.51 -51.14 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 44.0 m-85 -71.63 -43.95 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.75 156.32 25.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' ILE . 6.2 ttpt -80.21 78.32 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.967 HD11 ' HB2' ' A' ' 74' ' ' PHE . 76.1 mt -36.19 146.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -108.2 -35.82 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -167.84 112.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.9 tp -99.64 137.83 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.7 m -145.6 119.7 9.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.11 132.04 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 99' ' ' PHE . 69.1 mt -84.64 101.63 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.07 142.38 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.439 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 5.4 t0 -89.15 179.01 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -131.24 0.69 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -110.38 -67.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.2 t -129.17 -36.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -79.47 40.4 2.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.5 mtm -53.97 101.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.525 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 16.0 t-80 63.95 54.97 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -31.09 -64.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.05 36.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.438 ' SG ' ' CD1' ' A' ' 86' ' ' LEU . 26.5 p -151.62 175.15 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.45 156.97 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.53 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 4.7 m-85 -107.49 134.24 50.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 tp -127.09 120.85 29.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.6 m -105.33 111.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.543 ' HD2' HD12 ' A' ' 56' ' ' LEU . 7.2 m-85 -89.94 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 24.5 p -60.54 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -101.01 151.45 21.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -77.41 -55.18 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -50.21 -48.67 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.0 m -52.62 -51.85 58.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -47.39 -45.86 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.2 mt -52.63 -60.36 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 37.5 mttm -38.75 -62.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.29 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.86 -60.02 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -76.34 -25.41 54.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.74 -23.41 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -106.29 -44.57 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -47.39 124.52 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 43.84 33.31 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -121.38 -47.07 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -104.45 151.86 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.0 m -131.39 92.79 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.474 HD13 HD11 ' A' ' 65' ' ' LEU . 75.6 mt -41.62 150.8 0.33 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.59 27.91 8.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.5 mmm -140.01 112.61 7.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -52.37 -38.78 59.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -100.15 155.54 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.0 tt -97.64 130.19 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.91 138.51 33.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.54 HG22 HD12 ' A' ' 58' ' ' ILE . 74.5 t -143.14 124.63 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -156.28 152.95 24.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ALA . 54.0 Cg_endo -69.76 104.27 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.886 0.374 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HD2' ' CD1' ' A' ' 99' ' ' PHE . 7.9 ttpm? -88.76 99.81 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 56' ' ' LEU . 21.1 mt -73.74 119.42 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -91.02 125.01 35.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.716 HD12 HG22 ' A' ' 130' ' ' VAL . 14.3 mm -108.71 137.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.57 176.73 18.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 62.01 52.11 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.644 HG23 HD12 ' A' ' 65' ' ' LEU . 82.8 mt -127.26 126.17 24.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 154.34 67.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.36 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.44 ' HB3' ' CG ' ' A' ' 94' ' ' HIS . 6.0 ptp180 -81.27 41.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -122.59 2.41 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.644 HD12 HG23 ' A' ' 61' ' ' ILE . 69.9 mt -100.37 170.27 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -140.12 151.82 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' CG ' HG23 ' A' ' 85' ' ' VAL . 37.2 mt-10 -53.65 -34.06 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 42.3 mttp -71.05 -20.38 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 1.5 m-20 -102.79 -17.86 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.437 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.2 mt -93.95 -42.68 8.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 62.3 tttt -55.2 -43.37 99.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.96 -63.01 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.5 mt -41.86 -72.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.961 ' HB2' HD11 ' A' ' 80' ' ' ILE . 74.3 m-85 -49.13 -52.26 27.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.929 ' HG2' HD12 ' A' ' 80' ' ' ILE . 15.8 mm-40 -39.18 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.8 mt-10 -70.99 -49.83 40.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -71.81 -43.69 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.45 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.36 153.79 23.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -80.22 79.2 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.961 HD11 ' HB2' ' A' ' 74' ' ' PHE . 53.7 mt -39.8 149.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.12 -35.74 5.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -162.7 113.07 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.89 137.72 38.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 m -145.14 121.73 11.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.506 HG23 ' CG ' ' A' ' 67' ' ' GLU . 40.7 t -96.12 109.13 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 99' ' ' PHE . 35.6 mt -53.41 104.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -139.91 128.03 22.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.419 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 2.2 t70 -73.17 -178.96 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.465 ' N ' ' HD2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -133.37 2.59 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.21 -63.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -131.91 -31.65 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.98 40.72 2.33 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.44 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 15.3 ptt? -34.45 -43.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 63' ' ' ARG . 49.0 t-80 -148.69 107.12 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -67.98 -57.82 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 135.33 39.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.5 p -168.83 173.63 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.58 153.07 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 86' ' ' LEU . 3.4 m-85 -104.18 126.25 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.635 HD11 HG12 ' A' ' 80' ' ' ILE . 23.4 tp -114.5 148.46 37.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.1 m -133.26 107.34 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.45 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 3.5 m-85 -90.87 127.98 36.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 p -49.8 -46.95 51.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -102.11 161.22 13.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -85.34 -56.53 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.91 -47.83 52.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.7 p -52.17 -34.92 47.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.36 -49.09 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 6.2 mtpm? -52.59 -56.39 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.67 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 56' ' ' LEU . 25.8 mt-30 -60.95 -58.94 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 t -76.62 -21.9 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -78.23 -21.2 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.3 mt -109.52 -49.75 3.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -45.64 126.36 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 39.21 38.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.31 -44.78 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 120' ' ' THR . 11.4 ttmt -119.65 148.02 43.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.464 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 26.9 m -125.62 110.51 13.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.458 HD13 HD11 ' A' ' 65' ' ' LEU . 89.6 mt -61.04 149.89 80.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.9 6.78 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.1 -24.56 9.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.4 mmm -102.8 118.21 36.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -57.16 -32.63 66.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.71 154.79 37.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -178.9 2.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.26 . . . . 0.0 112.318 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 58' ' ' ILE . 19.8 tt -91.66 136.46 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -101.13 140.94 34.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.716 HG22 HD12 ' A' ' 58' ' ' ILE . 44.3 t -142.52 119.77 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -151.36 152.94 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.555 0.693 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.76 5.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.889 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.941 0.4 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 17.4 ttmm -90.62 88.84 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.736 HD11 ' HB1' ' A' ' 108' ' ' ALA . 66.2 mt -73.4 122.16 21.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -94.41 134.12 37.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.785 HD12 HG22 ' A' ' 130' ' ' VAL . 9.6 mm -118.12 125.07 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.31 -176.88 19.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG3' ' HE2' ' A' ' 124' ' ' MET . 5.1 tp60 54.71 52.6 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.879 HG23 HD12 ' A' ' 65' ' ' LEU . 90.3 mt -121.17 118.66 30.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.21 63.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.467 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 42.8 ttp85 -80.01 41.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -126.37 4.59 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.879 HD12 HG23 ' A' ' 61' ' ' ILE . 84.7 mt -100.68 179.84 4.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -140.77 165.79 26.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HG2' HD23 ' A' ' 83' ' ' LEU . 3.3 tt0 -70.7 -37.97 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 46.8 mttt -80.9 -14.08 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -92.29 -20.35 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.673 HD21 HD13 ' A' ' 65' ' ' LEU . 30.0 mt -98.26 -32.05 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.627 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 71.9 tttt -58.66 -42.71 95.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.1 Cg_exo -48.01 -63.36 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.6 mt -43.91 -72.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.611 ' HB2' HD11 ' A' ' 80' ' ' ILE . 77.5 m-85 -49.55 -38.73 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.536 ' HB2' HD12 ' A' ' 80' ' ' ILE . 81.6 tt0 -59.61 -33.69 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -66.9 -26.26 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -91.77 -43.21 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.3 161.6 26.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.92 75.72 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 74' ' ' PHE . 71.3 mt -37.98 149.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.157 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -106.69 -45.61 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -165.95 112.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.617 HD23 ' HG2' ' A' ' 67' ' ' GLU . 42.9 tp -95.64 151.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.0 m -156.34 116.8 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.44 128.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 99' ' ' PHE . 76.8 mt -76.8 98.92 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -138.39 110.08 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -49.71 179.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -129.82 -0.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -111.39 -70.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -129.67 -28.0 2.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.428 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -81.22 34.29 2.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.1 mmm -53.13 101.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.473 ' O ' ' C ' ' A' ' 95' ' ' LYS . 2.6 t60 74.21 55.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' HIS . 15.6 mttm -31.74 -60.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.52 36.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 86' ' ' LEU . 17.2 p -163.56 174.86 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.47 144.6 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 6.9 m-85 -100.32 132.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.509 HD13 HD13 ' A' ' 83' ' ' LEU . 17.5 tp -124.75 152.72 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.8 m -132.89 125.23 29.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.48 ' CD2' HD12 ' A' ' 56' ' ' LEU . 16.8 m-85 -99.61 141.69 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.7 t -44.59 -53.3 7.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -113.07 155.97 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -65.54 -61.59 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -43.79 -56.55 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.0 m -40.29 -59.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.736 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -40.15 -50.77 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -47.08 -55.18 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -41.91 -70.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.45 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.407 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 4.3 tt0 -60.1 -55.4 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.1 m -77.21 -28.96 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.82 -14.13 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.595 HD13 ' CE1' ' A' ' 74' ' ' PHE . 29.1 mt -112.85 -48.05 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -44.63 132.29 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 40.0 36.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.82 -41.42 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -116.5 149.04 40.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.2 m -121.52 100.25 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.452 HD22 HD11 ' A' ' 65' ' ' LEU . 56.6 mt -46.99 152.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.24 11.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.55 30.05 22.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.43 ' HE2' ' HG3' ' A' ' 60' ' ' GLN . 70.3 mmm -140.01 115.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -55.9 -38.3 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -100.14 159.07 30.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.548 0.689 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -174.53 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.525 HD11 HG21 ' A' ' 58' ' ' ILE . 18.7 tt -93.5 134.17 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -98.26 129.63 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.785 HG22 HD12 ' A' ' 58' ' ' ILE . 57.7 t -135.99 112.98 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.416 ' HD2' ' O ' ' A' ' 130' ' ' VAL . 22.4 mmmt -146.17 152.85 47.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.407 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.7 Cg_endo -69.79 125.92 12.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.919 0.39 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -73.01 98.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.653 HD12 ' CD1' ' A' ' 102' ' ' TYR . 40.4 mt -85.72 117.65 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.46 124.55 34.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.866 HD12 HG22 ' A' ' 130' ' ' VAL . 11.5 mm -108.9 136.93 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.61 179.29 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 127' ' ' PRO . 0.3 OUTLIER 68.3 42.42 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.749 ' CG2' HD12 ' A' ' 65' ' ' LEU . 46.4 mt -124.62 132.11 24.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 158.08 58.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.797 ' H ' ' NE ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -84.57 42.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -126.07 4.8 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.749 HD12 ' CG2' ' A' ' 61' ' ' ILE . 51.2 mt -100.62 175.12 5.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.31 179.4 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.9 mp0 -74.61 -43.01 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -73.97 -12.2 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -98.16 -13.39 20.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.8 mt -110.74 -28.32 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 18.2 tttm -55.85 -44.34 99.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.7 Cg_exo -48.0 -63.27 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' PRO . 81.7 mt -37.7 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.869 ' HB2' HD11 ' A' ' 80' ' ' ILE . 44.5 m-85 -54.55 -58.47 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' CD ' ' HG2' ' A' ' 71' ' ' LYS . 9.7 mt-10 -36.52 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.2 tp10 -71.79 -46.38 58.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 30.6 m-85 -80.17 -44.66 19.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.92 151.55 22.54 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.66 86.26 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 74' ' ' PHE . 70.7 mt -41.22 148.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -104.55 -34.9 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -168.26 112.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.756 HD13 HD13 ' A' ' 100' ' ' LEU . 48.3 tp -98.97 144.85 27.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -151.53 124.44 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.35 99.35 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.81 HD11 ' CE2' ' A' ' 99' ' ' PHE . 67.9 mt -47.62 111.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -138.49 119.58 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.75 171.24 6.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -118.89 -2.29 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -104.55 -74.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -126.9 -27.97 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.39 42.15 2.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' GLY . 56.9 tpp -33.88 -55.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 53.5 t-80 -134.92 75.36 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.5 mtmt -35.03 -61.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.95 41.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.5 p -169.71 169.73 8.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.04 155.65 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.81 ' CE2' HD11 ' A' ' 86' ' ' LEU . 14.3 m-85 -101.19 137.99 38.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.756 HD13 HD13 ' A' ' 83' ' ' LEU . 15.4 tp -127.46 144.03 51.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.5 m -126.03 110.86 14.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.653 ' CD1' HD12 ' A' ' 56' ' ' LEU . 10.6 m-85 -85.66 132.73 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 64.6 m -61.0 -37.14 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.18 144.06 39.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -69.27 -58.64 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.03 -46.64 75.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 t -49.9 -56.35 10.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.606 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -42.75 -49.32 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.9 mt -48.28 -52.13 22.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -44.82 -70.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.438 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -50.67 -30.47 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -59.72 -52.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -82.92 -15.95 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -85.07 -15.74 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.1 mt -116.01 -44.58 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -51.46 122.1 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 45.74 31.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -117.45 -39.94 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 120' ' ' THR . 23.2 ttpp -121.99 155.39 35.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.43 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.1 m -126.54 116.68 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.448 ' CD1' HG12 ' A' ' 61' ' ' ILE . 39.7 mt -65.8 152.86 92.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.25 42.35 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.42 79.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.2 mmm -131.33 136.17 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -78.35 -32.53 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -100.31 153.69 37.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.681 0.753 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.488 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 53.4 Cg_endo -69.75 -179.95 3.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.6 tt -89.35 137.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -105.23 135.94 45.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.866 HG22 HD12 ' A' ' 58' ' ' ILE . 91.9 t -138.52 109.41 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -139.47 152.94 70.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.474 ' HA ' HD23 ' A' ' 56' ' ' LEU . 54.2 Cg_endo -69.75 108.3 2.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.448 ' CB ' ' HE3' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.905 0.383 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.556 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 34.9 ttpt -76.54 92.26 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.809 HD11 ' HB1' ' A' ' 108' ' ' ALA . 46.2 mt -77.43 124.53 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.95 133.72 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.589 ' CD1' HG13 ' A' ' 130' ' ' VAL . 7.1 mm -115.41 127.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.18 -174.02 15.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 54.89 54.36 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.012 HG23 HD12 ' A' ' 65' ' ' LEU . 90.0 mt -126.07 125.74 24.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 153.49 68.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.423 ' HG2' ' ND1' ' A' ' 94' ' ' HIS . 15.0 mtt85 -79.54 43.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.86 10.64 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.012 HD12 HG23 ' A' ' 61' ' ' ILE . 71.0 mt -100.82 168.54 9.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.05 155.34 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.06 -43.94 67.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -67.5 -21.8 65.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -97.01 3.3 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.548 HD21 HD13 ' A' ' 65' ' ' LEU . 30.9 mt -118.14 -37.96 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.4 tppp? -56.75 -43.29 99.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.93 -63.61 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -42.15 -72.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 1.016 ' HB2' HD11 ' A' ' 80' ' ' ILE . 79.5 m-85 -49.96 -58.93 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HG2' HD12 ' A' ' 80' ' ' ILE . 12.7 mm-40 -37.16 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 11.9 tp10 -67.91 -49.26 62.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' PHE . 77.0 m-85 -77.46 -43.57 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.42 137.4 8.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' ILE . 2.9 ttmp? -65.68 80.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.016 HD11 ' HB2' ' A' ' 74' ' ' PHE . 78.9 mt -36.86 151.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -108.51 -43.97 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.32 112.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 tp -98.9 141.13 32.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.2 m -143.96 123.74 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -83.03 131.81 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' A' ' 99' ' ' PHE . 73.0 mt -83.72 98.17 9.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 149.97 51.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.433 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 6.2 t0 -82.42 176.8 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -127.5 -8.61 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -100.32 -68.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.3 t -128.32 -31.7 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -75.03 47.14 1.89 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' GLY . 2.1 ptt? -36.5 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' GLY . 17.6 t-80 -163.97 111.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -76.93 -65.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.46 44.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.0 p -163.59 170.4 17.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.39 152.56 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.762 ' CD2' HD21 ' A' ' 86' ' ' LEU . 3.3 m-85 -101.83 132.3 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.4 tp -118.26 148.18 42.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -129.79 104.86 7.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.57 ' HD2' HD12 ' A' ' 56' ' ' LEU . 4.6 m-85 -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -57.9 -61.5 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.27 159.75 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -85.73 -46.38 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 107' ' ' SER . 10.4 pt-20 -67.17 -43.46 82.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 10.6 t -48.97 -54.26 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.809 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -43.43 -37.1 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.82 -47.05 87.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -69.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -54.37 -33.68 59.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.09 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 33.6 m -77.4 -23.16 50.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.44 ' HA ' ' CD ' ' A' ' 118' ' ' GLN . . . -76.47 -21.04 56.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 71.6 mt -108.21 -41.99 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.759 ' HD2' ' H ' ' A' ' 130' ' ' VAL . 21.9 t-80 -56.74 124.92 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 40.92 35.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 113' ' ' SER . 7.9 mt-30 -122.83 -46.33 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 120' ' ' THR . 16.4 tttm -121.36 146.0 47.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.3 m -119.71 132.66 55.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.663 HD13 HD11 ' A' ' 65' ' ' LEU . 75.7 mt -82.78 152.86 66.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.77 -28.26 7.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.2 mmm -104.45 123.68 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.39 -34.61 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 126' ' ' ARG . 13.8 mtp-105 -96.12 155.38 38.26 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.96 10.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.476 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.6 tt -87.09 140.64 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -105.59 134.99 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.759 ' H ' ' HD2' ' A' ' 116' ' ' HIS . 26.3 t -134.37 113.91 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -146.32 152.83 47.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.504 ' CA ' HD23 ' A' ' 56' ' ' LEU . 54.0 Cg_endo -69.79 133.52 25.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.6 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.897 0.379 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 16.4 ttmt -90.58 90.17 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 HD23 ' A' ' 100' ' ' LEU . 68.4 mt -75.07 122.6 23.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -95.85 113.79 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.831 HD12 HG22 ' A' ' 130' ' ' VAL . 6.8 mm -106.91 133.26 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.31 -171.1 14.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 55.68 54.87 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.722 HG23 HD12 ' A' ' 65' ' ' LEU . 73.6 mt -130.43 120.49 18.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 160.36 49.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 38.7 ptt85 -85.05 42.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.15 4.66 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.735 HD13 HD21 ' A' ' 70' ' ' LEU . 70.0 mt -100.48 171.7 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.04 149.16 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' HG23 ' A' ' 85' ' ' VAL . 76.5 mt-10 -51.51 -41.88 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -72.08 -16.56 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.75 -17.48 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.735 HD21 HD13 ' A' ' 65' ' ' LEU . 30.3 mt -100.42 -33.62 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.6 ttmp? -53.76 -43.91 97.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.0 Cg_exo -47.92 -63.2 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD13 ' HZ3' ' A' ' 119' ' ' LYS . 47.7 mt -39.8 -72.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.475 ' HB2' HD11 ' A' ' 80' ' ' ILE . 84.7 m-85 -53.19 -56.23 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.69 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.2 tp10 -73.48 -48.03 36.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.45 -44.0 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.84 158.78 26.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.24 93.15 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 61.7 mt -49.51 155.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.467 ' N ' HG22 ' A' ' 80' ' ' ILE . 12.4 t80 -120.63 -33.52 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -172.03 112.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 tp -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.6 m -140.9 125.92 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.436 HG23 ' CG ' ' A' ' 67' ' ' GLU . 77.3 t -96.34 97.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 99' ' ' PHE . 67.4 mt -51.18 109.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.97 122.02 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.4 t70 -68.75 176.34 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -129.7 1.63 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.71 -68.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.9 t -128.9 -38.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.44 44.5 1.96 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' GLY . 54.9 mmm -33.83 -46.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.8 t-80 -134.76 76.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' HIS . 40.7 mttm -35.86 -45.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.98 1.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.4 p -162.96 175.7 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.07 151.75 25.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 11.4 m-85 -101.74 130.87 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.435 HD23 HD12 ' A' ' 56' ' ' LEU . 14.8 tp -115.3 152.15 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.416 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 95.6 m -133.72 118.04 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -100.25 126.04 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.1 m -43.03 -48.72 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -106.06 148.04 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -70.22 -59.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 107' ' ' SER . 61.4 tt0 -42.42 -58.81 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 106' ' ' GLU . 5.2 t -37.8 -50.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.2 -46.25 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -51.35 -34.46 34.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -68.6 -69.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -49.92 -28.69 7.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -58.24 -70.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -66.99 -16.26 64.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -80.81 -32.16 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.7 mt -103.17 -19.08 14.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -71.68 123.36 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 43.86 42.15 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -131.65 -33.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.3 ttmt -121.09 148.36 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.458 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 7.0 m -127.73 98.79 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 44.4 mt -48.35 151.32 1.93 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 124.0 10.64 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.02 24.75 18.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.2 mmm -140.03 117.88 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -58.29 -38.01 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 -100.1 152.75 37.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -178.21 2.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.765 HD11 HG21 ' A' ' 58' ' ' ILE . 11.0 tt -90.48 136.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -107.03 130.81 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.831 HG22 HD12 ' A' ' 58' ' ' ILE . 44.5 t -126.94 113.16 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -142.09 139.79 18.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 129.28 17.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.474 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.377 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 27.0 ttpt -86.15 88.31 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 108' ' ' ALA . 51.8 mt -74.14 127.37 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -95.29 119.95 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.623 HD12 HG22 ' A' ' 130' ' ' VAL . 12.2 mm -105.79 129.67 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.72 -172.51 14.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 55.99 43.67 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.749 0.309 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.614 HG23 HD12 ' A' ' 65' ' ' LEU . 95.8 mt -119.78 125.61 27.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.466 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.8 Cg_endo -69.74 171.2 14.87 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 3.3 mpt_? -98.34 44.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -131.45 7.79 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.652 HD13 HD21 ' A' ' 70' ' ' LEU . 78.3 mt -101.15 171.6 7.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.17 153.22 46.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' HG23 ' A' ' 85' ' ' VAL . 42.7 mt-10 -55.42 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -72.15 -18.99 61.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.07 -17.84 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 65' ' ' LEU . 30.6 mt -99.08 -28.49 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 66.4 tttt -55.92 -43.18 99.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.698 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.1 Cg_exo -48.01 -63.11 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.46 HD22 ' HE3' ' A' ' 119' ' ' LYS . 72.7 mt -41.96 -72.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 76' ' ' GLU . 67.9 m-85 -52.95 -59.96 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -40.78 -24.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' PHE . 6.3 tp10 -77.82 -45.51 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' PHE . 39.3 m-85 -76.5 -44.02 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.69 162.77 26.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.2 88.88 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 80.5 mt -41.15 138.22 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -101.94 -37.49 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 25.7 tt0 -171.58 112.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 31.3 tp -97.75 136.46 38.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.7 m -144.44 121.74 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.434 HG23 ' CG ' ' A' ' 67' ' ' GLU . 84.8 t -90.79 119.88 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.621 HD12 ' SG ' ' A' ' 97' ' ' CYS . 83.3 mt -59.62 118.77 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -132.4 119.66 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.412 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.7 t70 -66.43 -179.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -131.08 12.69 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -128.86 -71.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -124.84 -30.93 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.27 40.24 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' GLY . 13.8 mmt -33.19 -46.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.526 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.9 t-80 -134.96 93.23 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -63.51 169.72 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.03 45.03 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.621 ' SG ' HD12 ' A' ' 86' ' ' LEU . 23.3 p -162.35 170.3 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.26 151.27 27.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.542 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 7.1 m-85 -101.59 129.16 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.3 tp -117.33 149.79 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.6 m -132.13 119.25 20.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -100.6 126.48 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.1 p -50.63 -47.77 58.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -96.98 151.23 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -80.8 -47.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.01 -42.31 94.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.6 p -54.35 -35.69 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.7 mt -54.12 -51.53 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -54.04 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.47 60.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -57.68 -58.1 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.5 m -76.65 -18.07 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -84.6 -14.38 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.5 mt -113.95 -42.68 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -49.41 131.78 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 38.75 36.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -46.73 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.46 ' HE3' HD22 ' A' ' 73' ' ' LEU . 18.8 mttm -108.92 150.16 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.0 m -128.79 91.39 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 62' ' ' PRO . 94.3 mt -41.39 152.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 134.49 28.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.66 26.51 53.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.4 mmm -137.55 119.65 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.91 -36.86 82.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -100.06 154.78 37.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.52 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 128' ' ' ILE . 16.6 tt -97.08 127.3 49.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.16 137.95 33.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.623 HG22 HD12 ' A' ' 58' ' ' ILE . 56.9 t -137.38 115.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -145.05 142.37 18.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.417 ' HA ' HD23 ' A' ' 56' ' ' LEU . 53.2 Cg_endo -69.82 115.3 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' A' ' 105' ' ' ARG . 52.3 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.368 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.696 ' HD2' ' HB3' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -104.8 116.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.812 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.517 HD11 ' HB1' ' A' ' 108' ' ' ALA . 20.1 mt -92.37 123.94 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -98.06 113.65 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.852 ' CG2' HD11 ' A' ' 128' ' ' ILE . 8.2 mm -97.53 132.56 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.53 -172.49 13.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 54.47 54.76 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.612 ' CG2' HD12 ' A' ' 65' ' ' LEU . 46.6 mt -131.96 133.95 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' A' ' 61' ' ' ILE . 53.9 Cg_endo -69.78 -176.8 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HA ' ' ND1' ' A' ' 94' ' ' HIS . 25.7 ptt-85 -110.97 44.84 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 62' ' ' PRO . 19.2 p30 -127.98 5.28 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.612 HD12 ' CG2' ' A' ' 61' ' ' ILE . 28.7 mt -101.09 172.5 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.06 159.01 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.474 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 4.0 mp0 -60.75 -21.59 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -89.07 -10.83 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.28 -6.15 16.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.448 HD21 HD13 ' A' ' 65' ' ' LEU . 28.3 mt -110.08 -28.93 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.632 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 46.1 tttt -58.88 -42.68 95.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.9 Cg_exo -48.0 -62.61 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.4 mt -44.62 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CD1' HD22 ' A' ' 100' ' ' LEU . 74.8 m-85 -49.66 -58.92 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HB2' HD12 ' A' ' 80' ' ' ILE . 12.9 tp10 -46.21 -20.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -77.29 -42.82 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.67 -43.82 22.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.72 162.4 26.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -80.16 94.29 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 81' ' ' TYR . 70.2 mt -48.71 160.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.548 ' N ' HG22 ' A' ' 80' ' ' ILE . 4.8 t80 -122.83 -38.27 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -169.76 112.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.4 tp -98.87 132.99 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -139.32 122.1 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.688 HG12 ' HD2' ' A' ' 87' ' ' LYS . 46.8 t -83.16 130.45 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.685 HD11 ' CE2' ' A' ' 99' ' ' PHE . 85.1 mt -89.67 95.15 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.688 ' HD2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.29 164.13 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.14 -178.66 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HG2' ' CD1' ' A' ' 90' ' ' PHE . 8.6 ptm180 -130.09 -5.41 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CD1' ' HG2' ' A' ' 89' ' ' ARG . 93.8 m-85 -107.91 -74.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.2 t -113.42 -35.17 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -77.03 46.55 2.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 92' ' ' GLY . 16.2 ptm -30.99 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 92' ' ' GLY . 3.5 t-80 -158.41 110.76 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -67.96 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.22 47.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.6 p -171.02 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.06 155.32 33.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 86' ' ' LEU . 2.5 m-85 -105.1 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.514 HD22 ' CD1' ' A' ' 74' ' ' PHE . 17.4 tp -113.22 142.57 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.8 m -128.14 108.5 10.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.407 ' CE2' HD21 ' A' ' 100' ' ' LEU . 5.0 m-85 -90.19 123.39 33.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -39.55 -57.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -94.05 114.07 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.494 ' HB2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -49.31 -42.05 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -58.45 -41.57 85.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -46.45 67.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -51.83 -36.74 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.1 mt -55.35 -35.37 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -72.42 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.69 -19.38 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.065 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -67.51 -65.64 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 t -75.19 -13.88 60.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.87 -18.84 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.0 mt -112.84 -49.35 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -41.97 128.1 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 39.92 47.19 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -130.49 -51.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.3 ttmm -116.82 141.51 48.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.1 m -116.92 130.16 56.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.88 152.39 74.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.12 6.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.329 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.3 -26.54 7.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.421 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 71.4 mmm -104.56 121.73 44.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -59.12 -33.07 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -99.73 153.99 37.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.852 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.3 tt -84.13 142.23 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -111.37 136.32 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.511 HG22 HD12 ' A' ' 58' ' ' ILE . 41.5 t -134.77 117.55 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -143.93 140.16 16.84 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 107.63 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.696 ' HB3' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.891 0.377 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 38.0 ttpt -92.31 99.95 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 102' ' ' TYR . 43.9 mt -78.06 130.28 36.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' HB2' ' HB2' ' A' ' 133' ' ' ALA . 7.5 t80 -99.48 116.51 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.717 ' CG2' HD11 ' A' ' 61' ' ' ILE . 9.8 mm -103.91 128.56 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.53 -176.29 14.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 55.97 54.96 7.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.717 HD11 ' CG2' ' A' ' 58' ' ' ILE . 84.4 mt -131.84 132.86 23.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.545 ' O ' ' CE1' ' A' ' 94' ' ' HIS . 53.0 Cg_endo -69.79 -168.24 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HB3' ' ND1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -118.91 44.88 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -132.16 11.05 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.807 HD13 HD21 ' A' ' 70' ' ' LEU . 67.0 mt -100.33 171.98 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.79 157.27 46.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.432 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.9 mp0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 14.7 ptpt -77.27 -10.92 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.38 -20.54 14.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.807 HD21 HD13 ' A' ' 65' ' ' LEU . 43.1 mt -101.22 -39.21 7.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.2 ttmm -53.37 -46.02 98.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.6 Cg_exo -47.95 -55.53 3.93 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.595 HD22 ' NZ ' ' A' ' 119' ' ' LYS . 41.9 mt -45.33 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 1.027 ' HB2' HD11 ' A' ' 80' ' ' ILE . 75.1 m-85 -51.27 -50.55 59.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 5.8 tt0 -40.08 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.9 tt0 -76.33 -41.59 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 74' ' ' PHE . 66.7 m-85 -78.77 -43.64 25.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.62 158.29 26.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' ILE . 38.6 tttt -80.13 75.26 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.027 HD11 ' HB2' ' A' ' 74' ' ' PHE . 80.1 mt -36.5 143.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -108.36 -34.92 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' C ' ' OE1' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -160.93 135.01 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 67' ' ' GLU . 31.3 tp -123.04 131.38 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 m -138.35 126.37 22.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.402 HG21 ' OE2' ' A' ' 67' ' ' GLU . 86.7 t -90.6 102.29 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 99' ' ' PHE . 42.8 mt -56.08 92.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -135.82 138.13 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.06 179.05 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.19 4.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -116.94 -70.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -124.79 -27.72 3.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.5 40.93 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' GLY . 48.2 mtp -34.07 -38.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.545 ' CE1' ' O ' ' A' ' 62' ' ' PRO . 42.2 t-80 -152.66 110.07 3.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.48 ' CE ' ' HB3' ' A' ' 86' ' ' LEU . 52.8 mtmt -74.28 -56.94 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.28 40.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 24.2 p -174.89 171.42 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.91 155.11 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 86' ' ' LEU . 2.8 m-85 -101.39 125.48 48.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.441 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 36.7 tp -125.37 127.84 47.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.3 m -110.98 134.01 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.684 ' CD1' HD12 ' A' ' 56' ' ' LEU . 8.8 m-85 -98.95 150.82 21.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 29.0 t -68.11 -40.94 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.97 165.09 11.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -84.85 -53.79 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 107' ' ' SER . 7.2 pt-20 -65.02 -35.86 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 6.8 m -47.97 -48.28 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.12 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.8 mt -48.48 -39.07 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -62.42 -62.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.427 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -62.5 -17.59 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.525 ' NE2' ' HD3' ' A' ' 132' ' ' PRO . 11.0 mt-30 -72.85 -44.97 60.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 m -94.93 -16.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 118' ' ' GLN . . . -78.91 -38.85 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.431 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 45.9 mt -90.08 -57.95 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' LEU . 56.4 t-80 -35.45 128.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 39.55 46.91 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.1 tm0? -133.99 -53.7 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.595 ' NZ ' HD22 ' A' ' 73' ' ' LEU . 15.0 ttmt -108.68 145.69 34.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.453 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 33.5 m -121.31 126.17 48.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.537 HD13 HD11 ' A' ' 65' ' ' LEU . 85.5 mt -76.53 151.95 83.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 114.75 3.81 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.25 -25.15 8.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.4 mmm -100.78 121.14 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -58.63 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -97.87 155.68 36.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 119' ' ' LYS . 16.1 tt -88.2 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -108.81 126.53 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.622 HG13 ' CD1' ' A' ' 58' ' ' ILE . 26.2 t -124.3 116.95 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -148.09 142.73 16.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.525 ' HD3' ' NE2' ' A' ' 112' ' ' GLN . 53.1 Cg_endo -69.83 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.877 0.37 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.554 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 30.4 ttpt -97.71 91.82 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.482 HD11 ' HB1' ' A' ' 108' ' ' ALA . 36.8 mt -73.9 123.22 23.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -94.82 119.43 33.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.665 HD12 HG22 ' A' ' 130' ' ' VAL . 6.0 mm -102.99 140.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.18 -179.04 16.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 60.92 54.78 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.71 ' CG2' HD12 ' A' ' 65' ' ' LEU . 38.3 mt -130.49 132.82 24.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.543 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 53.6 Cg_endo -69.79 162.56 41.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.56 ' HB3' ' CD2' ' A' ' 94' ' ' HIS . 4.9 ptp180 -92.93 44.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.543 ' ND2' ' HB2' ' A' ' 62' ' ' PRO . 8.2 p30 -134.04 11.25 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.71 HD12 ' CG2' ' A' ' 61' ' ' ILE . 83.5 mt -100.82 176.49 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -140.15 174.22 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -75.49 -39.46 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -71.94 -19.88 61.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.79 -22.06 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.433 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.7 mt -95.88 -33.14 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.1 tttt -52.12 -44.68 93.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.95 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.456 HD22 ' HE3' ' A' ' 119' ' ' LYS . 63.9 mt -38.78 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 77' ' ' PHE . 52.2 m-85 -57.12 -58.06 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 32.7 tt0 -36.17 -30.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 74' ' ' PHE . 8.1 tp10 -72.9 -45.81 56.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 74' ' ' PHE . 12.5 m-85 -76.49 -44.53 34.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.23 148.56 20.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -70.51 89.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.727 0.299 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 65.1 mt -42.75 137.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -104.88 -38.2 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -160.85 112.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 tp -105.76 137.65 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.0 m -143.82 122.78 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.7 95.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.599 HD21 ' CD2' ' A' ' 99' ' ' PHE . 49.0 mt -48.78 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -135.76 136.06 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.444 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.4 t0 -79.54 175.07 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.25 -3.74 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -105.03 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.7 t -129.2 -33.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -75.03 46.99 1.86 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' GLY . 7.4 mtt -33.46 -49.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 63' ' ' ARG . 39.7 t60 -135.0 74.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.7 mtmt -33.99 -44.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.56 45.22 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.7 p -172.76 172.78 4.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.78 148.11 18.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CD2' HD21 ' A' ' 86' ' ' LEU . 6.0 m-85 -100.08 129.39 46.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.429 HD11 HG12 ' A' ' 80' ' ' ILE . 15.2 tp -122.78 146.41 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.9 m -133.99 127.3 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.556 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 19.6 m-85 -98.7 138.31 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 23.7 m -52.29 -44.76 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -110.69 141.67 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -56.66 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 109' ' ' LEU . 24.9 tt0 -43.3 -52.89 5.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 t -39.48 -43.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -56.47 -42.76 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' GLU . 21.9 mt -57.18 -51.29 69.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 54.8 mttp -50.21 -63.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.55 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.55 -62.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 75.0 m -75.4 -1.82 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.73 ' HA ' HE22 ' A' ' 118' ' ' GLN . . . -106.0 -19.97 13.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 70.6 mt -114.81 -43.36 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -46.97 127.84 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 41.9 47.9 3.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.73 HE22 ' HA ' ' A' ' 114' ' ' ALA . 7.5 mt-30 -134.93 -42.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.456 ' HE3' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -119.52 146.53 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 127' ' ' PRO . 8.5 m -123.83 138.19 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.7 155.08 71.06 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.17 6.99 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.21 25.27 22.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.6 mmm -140.19 111.97 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -59.42 -31.04 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 28.3 ttm180 -100.19 139.54 20.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.7 Cg_endo -69.73 162.64 41.26 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 58' ' ' ILE . 16.2 tt -64.89 125.72 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -99.0 129.61 45.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.665 HG22 HD12 ' A' ' 58' ' ' ILE . 58.3 t -126.87 109.16 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -138.59 141.11 29.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 113.96 3.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 105' ' ' ARG . 50.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.915 0.388 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -83.54 92.26 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 ' CD2' ' A' ' 102' ' ' TYR . 19.0 mt -74.82 116.4 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -88.39 126.16 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 130' ' ' VAL . 11.0 mm -110.67 134.98 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.67 172.75 22.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 71.1 45.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.683 ' CG2' HD12 ' A' ' 65' ' ' LEU . 87.6 mt -127.92 132.97 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.143 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.79 150.2 67.7 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 41.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -123.28 2.75 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.683 HD12 ' CG2' ' A' ' 61' ' ' ILE . 52.8 mt -100.6 179.59 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.79 173.52 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CG ' HG23 ' A' ' 85' ' ' VAL . 23.8 mt-10 -69.87 -36.61 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 57.1 tttt -73.28 -15.62 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.82 -19.78 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 28.3 mt -101.46 -31.45 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.636 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 45.1 tttp -59.45 -42.03 90.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 110.931 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.7 Cg_exo -48.02 -63.04 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -43.28 -72.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 76' ' ' GLU . 71.2 m-85 -53.12 -60.49 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 3.8 tp10 -40.2 -25.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.3 tt0 -72.11 -47.44 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' PHE . 32.2 m-85 -73.77 -44.41 56.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.93 157.33 25.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -79.76 91.03 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' A' ' 71' ' ' LYS . 80.6 mt -44.13 154.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.114 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.454 ' HD2' HG21 ' A' ' 101' ' ' THR . 25.7 t80 -110.77 -36.84 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -164.02 112.74 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 100' ' ' LEU . 30.8 tp -96.97 134.62 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.0 m -145.67 111.3 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.527 HG23 ' CG ' ' A' ' 67' ' ' GLU . 73.3 t -85.24 101.06 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 99' ' ' PHE . 59.4 mt -42.59 119.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -136.47 133.1 36.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.434 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.3 t70 -95.31 179.4 5.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 28.6 ttm180 -124.61 8.23 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.25 -75.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 92' ' ' GLY . 9.1 t -122.36 -41.44 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.434 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.29 41.74 2.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' GLY . 4.3 mtt -35.77 -36.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -125.33 -23.21 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' GLY . 28.0 mtmm 56.6 25.08 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.6 57.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.0 p -174.97 172.43 2.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.3 23.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.612 ' CE2' HD11 ' A' ' 86' ' ' LEU . 4.1 m-85 -105.62 135.29 47.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.489 HD12 HD13 ' A' ' 83' ' ' LEU . 13.8 tp -124.17 145.5 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.454 HG21 ' HD2' ' A' ' 81' ' ' TYR . 47.7 m -130.14 117.04 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.728 ' HB2' ' HB2' ' A' ' 108' ' ' ALA . 10.6 m-85 -95.14 127.0 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 19.2 m -45.92 -59.25 2.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -91.77 106.41 18.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 106' ' ' GLU . 2.3 ppt_? -40.95 -41.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.496 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 11.3 pt-20 -66.22 -54.7 22.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.5 p -46.76 -34.41 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.728 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . . . -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.16 -36.17 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.09 -67.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -51.91 -34.71 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -51.75 -59.09 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.4 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 2.4 t -77.4 -17.54 58.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -79.42 -25.31 42.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 74' ' ' PHE . 39.0 mt -106.91 -48.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.474 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 69.9 t60 -43.76 133.9 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' HIS . 46.5 mm-40 36.22 33.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' HIS . 1.6 mt-30 -125.78 -36.71 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.929 ' O ' HG22 ' A' ' 128' ' ' ILE . 8.3 ttmm -126.39 137.38 53.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.0 m -118.38 128.41 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 61' ' ' ILE . 47.3 mt -75.52 150.98 84.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.1 7.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.23 -28.27 7.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.411 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 67.6 mmm -102.78 126.55 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.5 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -91.08 154.13 44.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 172.97 11.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.929 HG22 ' O ' ' A' ' 119' ' ' LYS . 18.8 tt -80.56 134.07 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -99.78 131.55 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.784 HG22 HD12 ' A' ' 58' ' ' ILE . 58.9 t -138.96 112.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.474 ' HD3' ' CE1' ' A' ' 116' ' ' HIS . 20.5 mmmt -146.04 151.98 46.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 131.79 22.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.862 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.896 0.379 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE3' ' CG ' ' A' ' 99' ' ' PHE . 9.3 tttp -80.62 104.15 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.622 HD12 HD23 ' A' ' 100' ' ' LEU . 91.9 mt -78.04 156.19 30.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.2 119.83 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.748 HD12 HG22 ' A' ' 130' ' ' VAL . 8.8 mm -106.52 137.4 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.67 -175.61 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.708 ' O ' HD12 ' A' ' 121' ' ' LEU . 1.9 mp0 57.98 54.99 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.981 HG23 HD12 ' A' ' 65' ' ' LEU . 93.5 mt -126.07 124.56 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.492 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.6 Cg_endo -69.7 158.02 58.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.72 4.06 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.981 HD12 HG23 ' A' ' 61' ' ' ILE . 61.1 mt -101.5 171.31 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.23 158.26 44.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.572 ' CG ' HG23 ' A' ' 85' ' ' VAL . 11.2 mt-10 -58.68 -42.29 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 17.5 tptt -73.59 -21.54 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.94 -17.28 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.771 HD21 HD13 ' A' ' 65' ' ' LEU . 31.0 mt -101.03 -37.76 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -52.71 -44.18 94.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.9 Cg_exo -48.05 -63.34 0.32 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.646 2.23 . . . . 0.0 112.32 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.6 mt -40.31 -70.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.962 ' HB2' HD11 ' A' ' 80' ' ' ILE . 97.0 m-85 -49.79 -51.4 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' PHE . 12.4 tt0 -37.79 -35.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -70.76 -43.13 69.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 28.7 m-85 -72.01 -45.09 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.5 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.7 158.61 26.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -80.66 73.0 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.962 HD11 ' HB2' ' A' ' 74' ' ' PHE . 71.4 mt -41.38 152.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.407 ' N ' HG22 ' A' ' 80' ' ' ILE . 22.0 t80 -114.88 -34.42 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -168.44 113.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 99' ' ' PHE . 34.8 tp -99.77 144.7 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.9 m -149.86 116.71 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 67' ' ' GLU . 84.0 t -89.16 114.88 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.753 HD11 ' CE2' ' A' ' 99' ' ' PHE . 84.9 mt -55.06 104.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -131.07 112.77 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.453 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -60.29 163.32 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -113.78 -1.02 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -105.28 -75.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -129.93 -28.22 2.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.453 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.89 41.28 2.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.5 mtt -59.94 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 95' ' ' LYS . 1.8 t-80 71.64 54.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 94' ' ' HIS . 9.8 mtmm -33.33 -64.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.39 36.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.4 p -156.17 174.85 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.11 155.92 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.753 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.4 m-85 -108.14 135.04 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.737 HD11 HG12 ' A' ' 80' ' ' ILE . 13.8 tp -122.8 139.98 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.9 m -126.62 121.24 31.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.5 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 2.0 m-85 -104.18 136.51 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.5 t -48.24 -60.99 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -93.25 168.18 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 105' ' ' ARG . 14.2 mtp-105 -84.83 -56.9 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 109' ' ' LEU . 16.6 tp10 -44.11 -55.27 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.5 p -40.75 -53.73 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.83 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 106' ' ' GLU . 34.1 mt -46.84 -43.48 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -54.73 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -55.07 -31.71 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.492 ' OE1' ' CD2' ' A' ' 56' ' ' LEU . 6.3 tt0 -54.8 -45.04 74.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.8 m -96.35 -19.42 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -79.38 -23.27 43.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.601 HD22 ' NZ ' ' A' ' 119' ' ' LYS . 62.6 mt -105.5 -45.2 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.449 ' NE2' ' OE2' ' A' ' 117' ' ' GLU . 84.4 t60 -51.85 135.04 30.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' NE2' ' A' ' 116' ' ' HIS . 59.6 mt-10 36.38 40.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -122.2 -44.14 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.601 ' NZ ' HD22 ' A' ' 115' ' ' LEU . 8.6 pttm -126.21 146.96 49.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 127' ' ' PRO . 14.9 m -117.78 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 60' ' ' GLN . 74.6 mt -74.53 154.59 87.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 123.39 10.06 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.46 27.8 31.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mmm -140.24 115.62 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -63.04 -28.89 70.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -100.09 134.98 20.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.406 ' HA ' HG23 ' A' ' 120' ' ' THR . 54.2 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 58' ' ' ILE . 15.5 tt -63.42 130.64 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -104.83 146.82 28.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.748 HG22 HD12 ' A' ' 58' ' ' ILE . 24.5 t -144.6 122.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.74 152.55 48.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 102.62 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.737 2.291 . . . . 0.0 112.345 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 133' ' ' ALA . 0.4 OUTLIER -101.97 123.63 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 102' ' ' TYR . 63.3 mt -93.48 121.62 35.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.411 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -87.77 129.58 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.857 HD12 HG22 ' A' ' 130' ' ' VAL . 20.3 mm -112.71 135.5 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.47 16.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 60.2 54.99 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.711 HG23 HD12 ' A' ' 65' ' ' LEU . 71.7 mt -132.16 126.83 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 151.36 68.84 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.309 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HA ' ' CG ' ' A' ' 94' ' ' HIS . 7.5 ptp85 -79.53 43.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 64' ' ' ASN . 3.2 t30 -126.01 2.83 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.711 HD12 HG23 ' A' ' 61' ' ' ILE . 62.4 mt -100.46 173.7 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.19 153.64 46.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.543 ' CG ' HG23 ' A' ' 85' ' ' VAL . 28.0 mt-10 -51.39 -42.2 61.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 38.2 tttp -64.27 -26.37 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.86 7.44 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.15 -37.19 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.622 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.3 ttpp -62.29 -43.29 84.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.0 Cg_exo -47.88 -53.12 7.06 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.3 mt -52.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 115' ' ' LEU . 80.5 m-85 -52.26 -55.31 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 80' ' ' ILE . 9.6 tt0 -38.1 -46.12 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.21 -39.52 79.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' PHE . 33.8 m-85 -76.54 -45.19 31.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.79 166.94 26.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -80.46 118.74 22.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.551 HD13 ' HG3' ' A' ' 71' ' ' LYS . 82.5 mt -92.19 136.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.431 ' CD1' ' HB2' ' A' ' 82' ' ' GLU . 22.3 t80 -101.76 -41.11 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.7 tt0 -160.32 121.24 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 100' ' ' LEU . 38.1 tp -103.65 144.26 31.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -144.67 118.89 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.543 HG23 ' CG ' ' A' ' 67' ' ' GLU . 90.8 t -92.31 97.97 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.599 HD11 ' CE2' ' A' ' 99' ' ' PHE . 78.5 mt -37.19 109.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -126.76 137.4 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.57 -27.35 61.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 89' ' ' ARG . 66.0 ttt-85 56.17 24.92 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -134.98 -73.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 t -135.04 -39.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.15 30.29 2.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' GLY . 8.2 ptt? -36.74 119.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 63' ' ' ARG . 7.5 t-80 70.75 54.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.8 mttt -32.73 -64.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.0 35.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.546 ' SG ' HD12 ' A' ' 86' ' ' LEU . 11.8 p -164.76 175.52 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.03 145.74 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CE2' HD11 ' A' ' 86' ' ' LEU . 7.3 m-85 -101.96 122.0 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 83' ' ' LEU . 31.7 tp -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.0 m -119.51 112.84 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 4.8 m-85 -96.52 130.08 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.83 -65.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -73.88 168.02 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -83.48 -56.34 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 109' ' ' LEU . 56.9 mt-10 -62.29 -44.79 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.4 p -39.55 -37.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -68.95 -43.43 75.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' GLU . 23.3 mt -55.04 -50.74 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 76.1 mttt -46.36 -67.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.95 67.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.441 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 30.5 tt0 -58.48 -63.81 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -73.6 -24.19 60.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.36 -32.68 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.583 HD13 ' CE1' ' A' ' 74' ' ' PHE . 26.4 mt -96.15 -46.89 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 117' ' ' GLU . 68.3 t60 -43.82 130.3 5.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 116' ' ' HIS . 16.5 mm-40 35.66 45.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -133.69 -42.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.43 ' NZ ' HD22 ' A' ' 115' ' ' LEU . 5.1 ttpm? -115.44 156.86 24.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.0 m -138.37 119.62 14.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 65' ' ' LEU . 84.9 mt -68.18 150.64 97.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 118.93 5.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.81 -27.35 7.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mmm -100.2 122.4 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -59.63 -37.0 77.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -92.46 156.06 41.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.531 0.682 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.234 . . . . 0.0 112.351 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.433 HD11 ' CG2' ' A' ' 58' ' ' ILE . 16.3 tt -97.78 140.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -104.1 133.98 48.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.857 HG22 HD12 ' A' ' 58' ' ' ILE . 50.1 t -138.12 111.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -144.05 153.14 56.45 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.441 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.78 127.42 14.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.493 ' HB2' ' HE1' ' A' ' 99' ' ' PHE . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.714 HD12 ' HB2' ' A' ' 105' ' ' ARG . 84.7 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.889 0.376 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 133' ' ' ALA . 5.9 pttm -98.88 116.6 31.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.532 HD12 ' CD2' ' A' ' 102' ' ' TYR . 26.9 mt -81.12 131.42 35.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -101.29 111.13 23.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.843 ' CD1' HG13 ' A' ' 130' ' ' VAL . 8.8 mm -100.75 140.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.57 -175.33 13.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 58.21 54.92 5.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.71 ' CG2' HD12 ' A' ' 65' ' ' LEU . 59.5 mt -132.03 127.2 20.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HD2' HD13 ' A' ' 121' ' ' LEU . 54.3 Cg_endo -69.78 159.64 52.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.43 ' HB3' ' ND1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -86.54 42.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -123.71 1.43 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.71 HD12 ' CG2' ' A' ' 61' ' ' ILE . 49.5 mt -100.97 173.18 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.08 158.82 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CG ' HG23 ' A' ' 85' ' ' VAL . 29.4 mt-10 -58.43 -34.33 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -75.1 -12.42 60.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -108.69 -8.91 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.49 HD21 HD13 ' A' ' 65' ' ' LEU . 31.1 mt -108.55 -36.22 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 41.6 tttt -58.33 -42.91 97.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.97 -63.06 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -42.32 -68.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 1.004 ' HB2' HD11 ' A' ' 80' ' ' ILE . 87.4 m-85 -49.8 -55.33 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -37.13 -33.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.19 -56.73 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.73 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.526 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.73 155.91 25.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.22 76.81 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 74' ' ' PHE . 70.0 mt -37.92 157.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.495 ' N ' HG22 ' A' ' 80' ' ' ILE . 5.2 t80 -121.08 -33.52 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -171.9 113.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.09 134.16 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.9 m -133.88 119.37 19.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.421 HG23 ' CG ' ' A' ' 67' ' ' GLU . 54.8 t -83.22 125.08 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 99' ' ' PHE . 64.5 mt -77.32 105.51 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.59 151.34 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.425 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.0 t0 -89.68 174.11 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -126.58 1.34 6.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -112.08 -71.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.5 t -127.14 -30.67 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.27 45.61 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 92' ' ' GLY . 20.5 ptm -33.49 -43.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.43 ' ND1' ' HB3' ' A' ' 63' ' ' ARG . 6.5 t-80 -146.42 106.43 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -68.94 -49.14 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.94 46.1 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.4 p -173.88 173.75 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.92 152.14 26.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 86' ' ' LEU . 9.8 m-85 -103.66 126.62 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD11 HG12 ' A' ' 80' ' ' ILE . 35.9 tp -113.16 149.81 33.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.1 m -126.26 107.83 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CD2' HD12 ' A' ' 56' ' ' LEU . 3.7 m-85 -92.59 123.88 36.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 63.1 m -38.75 -68.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.8 112.06 20.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.714 ' HB2' HD12 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -44.58 -42.88 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.461 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 37.8 tt0 -59.37 -50.46 73.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -43.57 -45.25 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.38 -40.23 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.5 mt -54.63 -32.54 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -66.2 -69.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.655 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -50.9 -32.02 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.465 ' NE2' ' HD3' ' A' ' 132' ' ' PRO . 15.2 mt-30 -46.81 -61.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.3 t -81.17 -19.96 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -75.8 -17.21 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.9 mt -113.8 -48.97 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -45.99 122.34 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 50.69 37.42 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -133.69 -39.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.96 ' O ' HG22 ' A' ' 128' ' ' ILE . 17.1 tptp -110.53 126.55 54.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.4 m -119.7 121.31 38.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 62' ' ' PRO . 24.8 mt -73.63 151.21 89.18 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 114.58 3.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.07 -15.0 16.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 mmm -110.98 111.18 22.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -58.24 -26.34 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 39.2 ttt85 -96.56 139.7 21.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.9 Cg_endo -69.82 156.09 64.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.96 HG22 ' O ' ' A' ' 119' ' ' LYS . 16.2 tt -65.91 144.1 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -112.63 137.57 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.843 HG13 ' CD1' ' A' ' 58' ' ' ILE . 22.0 t -134.85 117.06 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -144.27 141.01 17.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.465 ' HD3' ' NE2' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.77 120.62 7.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.467 ' HB3' ' HE2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.401 HD11 ' HG3' ' A' ' 105' ' ' ARG . 64.3 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.938 0.399 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -88.79 88.21 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 102' ' ' TYR . 51.4 mt -75.74 123.88 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.44 113.84 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.779 ' CG2' HD11 ' A' ' 128' ' ' ILE . 16.1 mm -97.95 133.23 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.49 -169.79 12.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.548 ' O ' HD12 ' A' ' 121' ' ' LEU . 79.2 mt-30 55.7 54.97 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.969 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.751 HG12 HD11 ' A' ' 121' ' ' LEU . 67.1 mt -133.02 130.66 21.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.3 Cg_endo -69.86 -172.39 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.535 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 47.4 ttp85 -111.95 45.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -133.9 10.09 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.73 HD12 HG23 ' A' ' 61' ' ' ILE . 89.9 mt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -140.2 154.38 46.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' CG ' HG23 ' A' ' 85' ' ' VAL . 80.5 mt-10 -54.55 -40.04 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -72.33 -19.0 61.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.441 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -91.36 -25.83 19.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD21 HD13 ' A' ' 65' ' ' LEU . 38.1 mt -91.89 -35.83 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 25.2 tttp -50.75 -44.86 85.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.907 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.99 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -38.28 -73.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 76' ' ' GLU . 52.7 m-85 -56.27 -58.2 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 74' ' ' PHE . 7.6 tt0 -35.75 -31.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' PHE . 27.2 tt0 -73.11 -50.45 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 10.0 m-85 -68.49 -45.4 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.0 160.93 27.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -80.66 88.65 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 81' ' ' TYR . 48.0 mt -41.63 153.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.417 ' N ' HG22 ' A' ' 80' ' ' ILE . 15.8 t80 -113.47 -34.14 5.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -174.89 112.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.1 tp -97.78 140.17 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.8 m -148.68 110.62 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.445 HG23 ' CG ' ' A' ' 67' ' ' GLU . 91.5 t -68.2 136.12 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.565 HD21 ' CD2' ' A' ' 99' ' ' PHE . 43.0 mt -89.94 98.29 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.72 143.19 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.443 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 3.1 t70 -87.17 175.53 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -126.93 0.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -109.88 -65.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -133.54 -31.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -80.62 36.43 2.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 76.3 mtm -52.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.535 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 8.4 t-80 71.23 53.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' HIS . 23.1 mtmt -32.92 -64.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.22 42.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.1 p -159.92 173.77 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.88 153.25 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 6.1 m-85 -99.92 132.02 45.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.92 144.47 48.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.8 m -127.37 113.82 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.547 ' CD2' HD12 ' A' ' 56' ' ' LEU . 10.3 m-85 -87.23 132.5 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.8 m -54.34 -40.82 68.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -110.63 158.81 18.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.401 ' HG3' HD11 ' A' ' 54' ' ' ILE . 25.6 ttp180 -79.82 -44.83 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.604 ' OE2' HD12 ' A' ' 109' ' ' LEU . 19.7 tp10 -61.92 -53.74 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.8 p -42.65 -37.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -60.45 -40.32 90.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.604 HD12 ' OE2' ' A' ' 106' ' ' GLU . 32.9 mt -55.66 -51.36 67.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -53.48 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -54.8 -35.95 64.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -56.74 -58.95 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -76.4 -21.05 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -77.77 -28.28 50.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.4 mt -104.06 -52.66 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' GLU . 72.7 t60 -42.6 127.67 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' HIS . 26.5 mt-10 37.15 45.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.2 -47.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.533 ' O ' HG22 ' A' ' 128' ' ' ILE . 39.7 tttp -114.15 153.42 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.432 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 20.2 m -125.03 144.6 50.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 61' ' ' ILE . 76.7 mt -87.85 154.67 52.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 104.43 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.226 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 107.46 21.61 7.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 60' ' ' GLN . 13.5 mtp -132.9 105.08 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -45.8 -38.55 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -100.15 155.11 36.79 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.421 ' O ' ' CD ' ' A' ' 60' ' ' GLN . 54.0 Cg_endo -69.77 -167.43 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.779 HD11 ' CG2' ' A' ' 58' ' ' ILE . 14.4 tt -99.86 134.21 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -98.74 140.12 33.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 58' ' ' ILE . 45.2 t -137.59 111.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.48 29.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.72 19.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.507 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.472 ' CD1' ' HG2' ' A' ' 105' ' ' ARG . 24.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' ALA . 18.2 mtmt -78.17 99.62 6.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' A' ' 108' ' ' ALA . 19.0 mt -83.28 111.71 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 2.4 t80 -90.94 122.11 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.903 ' CD1' HG13 ' A' ' 130' ' ' VAL . 7.3 mm -108.07 139.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.61 177.93 16.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 61.16 54.44 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.83 HG23 HD12 ' A' ' 65' ' ' LEU . 66.8 mt -123.92 122.6 26.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 154.27 67.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.358 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.587 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 11.6 ptp180 -80.95 41.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -129.46 7.81 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.83 HD12 HG23 ' A' ' 61' ' ' ILE . 70.9 mt -100.66 172.26 7.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.67 158.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HG3' HG23 ' A' ' 85' ' ' VAL . 31.3 mp0 -60.54 -42.43 96.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.21 -14.23 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.92 -16.0 22.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 65' ' ' LEU . 31.4 mt -106.52 -24.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -58.52 -43.9 98.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.98 -63.55 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 31.2 mt -42.1 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.711 ' HB2' HD11 ' A' ' 80' ' ' ILE . 72.6 m-85 -50.92 -49.21 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 31.2 tt0 -51.99 -21.83 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -78.29 -41.28 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -78.69 -44.38 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.9 161.23 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -80.36 92.95 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 74' ' ' PHE . 58.9 mt -55.7 141.79 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -103.05 -37.6 7.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -167.57 114.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -100.58 141.93 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 66.9 m -144.58 118.62 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' A' ' 67' ' ' GLU . 47.3 t -87.76 114.59 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 99' ' ' PHE . 54.8 mt -65.29 85.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -137.73 104.98 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.423 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 11.9 t0 -61.74 174.27 0.84 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.63 6.44 6.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -114.53 -61.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 92' ' ' GLY . 9.7 t -133.17 -41.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.423 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.11 42.06 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.2 tpt -59.5 109.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 2.5 t60 55.18 54.96 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.2 mtpt -34.18 -49.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.02 46.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 p -172.78 177.97 2.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.23 156.26 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 86' ' ' LEU . 2.8 m-85 -112.41 128.62 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 102' ' ' TYR . 15.3 tp -120.37 146.64 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.2 m -130.53 121.47 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.564 ' CE2' HD21 ' A' ' 100' ' ' LEU . 4.1 m-85 -105.14 132.33 51.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.2 t -45.55 -56.29 5.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -86.61 165.43 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 54' ' ' ILE . 5.0 tmm_? -85.79 -63.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 107' ' ' SER . 47.1 mm-40 -52.85 -47.1 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 106' ' ' GLU . 47.9 t -34.33 -52.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -49.43 -48.63 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' GLU . 36.0 mt -47.07 -43.16 19.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -55.89 -62.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.14 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.46 ' NE2' ' HD3' ' A' ' 132' ' ' PRO . 36.6 mt-30 -70.18 -71.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -59.94 -13.19 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -89.31 -55.36 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.24 -46.7 32.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -42.02 129.23 3.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 43.7 49.98 6.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -133.48 -45.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.481 ' O ' HG22 ' A' ' 128' ' ' ILE . 25.8 ttpp -114.8 159.31 20.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.8 m -134.23 108.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.413 HD23 ' NZ ' ' A' ' 119' ' ' LYS . 47.8 mt -57.2 148.46 52.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.341 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.86 -17.67 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.4 mmm -105.46 120.94 42.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.33 -32.21 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -99.68 158.62 31.8 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -169.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 119' ' ' LYS . 7.6 tt -94.51 133.77 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -105.42 124.42 49.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.903 HG13 ' CD1' ' A' ' 58' ' ' ILE . 16.7 t -125.3 119.73 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -145.95 154.38 50.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.46 ' HD3' ' NE2' ' A' ' 112' ' ' GLN . 53.4 Cg_endo -69.76 157.67 59.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.905 0.383 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -93.98 93.23 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.484 HD12 ' CD2' ' A' ' 102' ' ' TYR . 28.4 mt -73.57 123.47 24.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -95.5 115.44 27.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.834 ' CD1' HG13 ' A' ' 130' ' ' VAL . 5.3 mm -105.72 128.43 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.517 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . -111.38 -145.28 10.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 3.6 pp0? 34.83 38.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.052 HG23 HD12 ' A' ' 65' ' ' LEU . 16.2 mt -114.59 116.95 43.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 168.03 22.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 31.1 ptt180 -87.78 42.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.84 10.49 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.052 HD12 HG23 ' A' ' 61' ' ' ILE . 97.4 mt -100.21 178.02 4.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -139.92 166.57 24.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' HD23 ' A' ' 83' ' ' LEU . 14.3 tt0 -70.78 -30.89 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' CD ' ' A' ' 72' ' ' PRO . 26.4 mmtm -89.02 -15.82 33.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.24 -12.83 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.513 HD21 HD13 ' A' ' 65' ' ' LEU . 22.4 mt -103.42 -38.4 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 24.3 ttmt -52.35 -44.76 94.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -48.02 -58.8 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 mt -45.54 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 1.006 ' HB2' HD11 ' A' ' 80' ' ' ILE . 74.7 m-85 -49.33 -50.06 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.806 ' HG2' HD12 ' A' ' 80' ' ' ILE . 19.0 mm-40 -45.47 -21.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -74.07 -38.72 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 114' ' ' ALA . 39.0 m-85 -86.85 -43.72 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.52 143.95 14.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 82.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.006 HD11 ' HB2' ' A' ' 74' ' ' PHE . 81.3 mt -41.23 153.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 80' ' ' ILE . 29.2 t80 -115.92 -36.17 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.66 133.46 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.442 HD23 ' HG2' ' A' ' 67' ' ' GLU . 57.3 tp -126.34 145.77 50.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.0 m -149.66 108.76 3.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 87' ' ' LYS . 25.1 t -79.37 100.35 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' A' ' 99' ' ' PHE . 53.4 mt -41.42 91.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' VAL . 6.3 ptmm? -129.34 116.68 19.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.98 177.19 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -124.64 6.61 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -114.91 -73.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.8 t -118.37 -40.02 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -78.85 41.21 2.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -35.43 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.49 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 58.6 t-80 -159.04 108.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -81.75 157.92 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.58 45.17 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.0 p -175.07 175.41 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.09 169.01 25.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.453 ' CD2' HD21 ' A' ' 86' ' ' LEU . 8.6 m-85 -116.01 126.48 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.648 HD12 ' H ' ' A' ' 101' ' ' THR . 33.4 tp -118.49 150.8 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.648 ' H ' HD12 ' A' ' 100' ' ' LEU . 31.4 m -127.81 128.78 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.484 ' CD2' HD12 ' A' ' 56' ' ' LEU . 10.8 m-85 -105.71 142.55 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.96 -47.39 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -118.34 155.73 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -68.6 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -39.35 -59.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.2 m -39.63 -47.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -52.33 -42.11 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.2 -42.52 77.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.63 -60.89 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.423 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -56.05 -35.51 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 21.9 mt-30 -55.21 -54.96 36.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.0 t -78.18 -23.15 47.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.76 -20.24 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.499 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 44.3 mt -113.53 -52.06 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 67.8 t60 -46.95 115.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 53.07 45.2 29.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -126.51 -39.39 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 128' ' ' ILE . 5.6 ptpt -127.31 179.87 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.2 m -140.3 111.56 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.03 149.39 86.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 119.61 6.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 108.32 -8.09 35.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mmm -115.15 121.39 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -61.21 -34.23 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -93.32 162.16 28.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -167.22 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.51 HG21 ' HG2' ' A' ' 119' ' ' LYS . 1.4 tt -91.31 150.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.442 ' N ' HG13 ' A' ' 128' ' ' ILE . 1.4 mp0 -129.41 120.65 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.834 HG13 ' CD1' ' A' ' 58' ' ' ILE . 59.6 t -128.16 127.33 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -151.76 142.29 15.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 116.81 4.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.0 m -101.12 -56.83 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -89.59 -44.03 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.16 -108.33 0.85 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t 62.49 42.11 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 t -96.63 84.66 3.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.71 -130.6 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.16 161.34 35.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -61.69 144.15 55.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -51.38 156.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -52.59 -49.43 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.65 81.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.22 158.32 34.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.8 mt -105.49 125.05 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 14.5 ttmm -86.42 94.2 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD11 ' HB1' ' A' ' 108' ' ' ALA . 26.6 mt -74.46 121.37 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -94.69 114.3 26.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.665 HG21 HD11 ' A' ' 128' ' ' ILE . 6.1 mm -101.72 137.17 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.08 175.53 20.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG3' ' HE3' ' A' ' 124' ' ' MET . 13.9 tp60 72.22 42.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.699 ' CG2' HD12 ' A' ' 65' ' ' LEU . 53.3 mt -125.65 134.29 25.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.73 154.98 67.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -86.73 41.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.96 6.77 6.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.699 HD12 ' CG2' ' A' ' 61' ' ' ILE . 78.4 mt -100.14 178.9 4.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -140.13 154.89 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.631 ' CG ' HG23 ' A' ' 85' ' ' VAL . 27.0 mt-10 -58.73 -38.15 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 34.2 mtmm -73.05 -10.83 60.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.1 -20.2 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 29.9 mt -100.66 -37.76 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.623 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -55.41 -43.43 99.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.889 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.99 -63.16 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.4 mt -43.63 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.822 ' HB2' HD11 ' A' ' 80' ' ' ILE . 78.4 m-85 -49.62 -42.53 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -50.9 -37.74 45.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -64.27 -25.65 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -91.87 -44.61 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.2 160.24 26.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -80.49 74.32 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.822 HD11 ' HB2' ' A' ' 74' ' ' PHE . 67.5 mt -43.57 139.56 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CD2' ' HG2' ' A' ' 49' ' ' LYS . 48.5 t80 -102.69 -38.67 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -157.15 134.97 10.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 99' ' ' PHE . 27.7 tp -126.06 135.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 m -141.7 127.5 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' CG ' ' A' ' 67' ' ' GLU . 59.5 t -97.39 109.2 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.589 HD11 ' CE2' ' A' ' 99' ' ' PHE . 46.2 mt -49.52 103.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -136.13 105.13 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.422 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.3 t70 -63.55 168.96 4.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -117.77 -0.58 11.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -105.89 -71.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.2 t -127.33 -32.07 2.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.74 39.38 2.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.434 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -33.86 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.848 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' GLY . 49.4 t-80 -151.27 110.54 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.6 mttp -83.34 35.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.23 44.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' HD12 ' A' ' 86' ' ' LEU . 27.2 p -161.66 172.94 15.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.15 152.69 26.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.8 m-85 -103.7 135.26 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.402 HD13 HD13 ' A' ' 83' ' ' LEU . 24.3 tp -126.79 140.96 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.7 m -126.21 114.88 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -91.52 135.43 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 p -55.92 -51.18 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -97.29 132.35 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -58.57 -51.28 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -54.43 -54.93 34.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.0 t -38.97 -58.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -39.49 -50.08 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.3 mt -49.6 -46.79 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -55.8 -65.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.86 -34.81 42.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -59.27 -63.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -68.88 -22.84 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.29 -34.91 55.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 37.5 mt -95.37 -54.84 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' GLU . 60.2 t60 -34.88 137.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' HIS . 11.6 mm-40 34.63 37.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -125.71 -41.3 2.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 128' ' ' ILE . 20.3 mttp -114.04 142.11 46.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.6 m -127.51 109.84 12.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.93 150.41 77.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.589 0.709 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.381 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.14 -21.74 12.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.404 ' HE3' ' HG3' ' A' ' 60' ' ' GLN . 66.1 mmm -102.63 114.52 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -54.86 -34.22 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -98.2 154.21 37.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 -178.44 2.32 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.669 HG22 ' O ' ' A' ' 119' ' ' LYS . 12.7 tt -85.94 129.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.603 HG22 HD12 ' A' ' 58' ' ' ILE . 58.8 t -131.87 118.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.77 142.15 15.25 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.45 45.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.29 48.8 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -96.65 149.64 21.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.2 t -111.22 100.85 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 136' ' ' GLU . 1.2 pm0 -81.05 129.29 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.3 p -48.1 118.76 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -168.73 172.17 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 139.82 61.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -173.4 139.24 5.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -169.59 142.73 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 135.16 70.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 165.31 31.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.1 p -161.95 173.05 15.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.0 t 57.48 42.03 25.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 m 61.78 42.0 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.0 p -104.14 102.41 12.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.43 156.23 35.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 p -103.41 -46.72 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.381 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -56.31 173.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.96 -63.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -108.8 132.69 53.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.326 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 150.4 40.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 51' ' ' HIS . 9.1 m-20 -52.47 161.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' ASP . 11.7 m-70 -36.17 -36.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -141.96 151.75 42.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.0 167.36 15.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.9 mt -100.05 117.41 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.16 98.56 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.4 mt -76.19 133.41 40.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -104.73 121.34 43.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.783 HD12 HG22 ' A' ' 130' ' ' VAL . 12.0 mm -106.63 134.65 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.35 -178.27 15.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 55.85 53.28 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.616 HG23 HD12 ' A' ' 65' ' ' LEU . 18.6 mt -124.22 128.39 25.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.452 ' HD3' ' CG ' ' A' ' 124' ' ' MET . 53.8 Cg_endo -69.76 162.82 40.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 15.8 ttm180 -88.63 42.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -127.16 6.35 6.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 70' ' ' LEU . 51.5 mt -100.41 166.0 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -139.89 153.72 47.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' CG ' HG23 ' A' ' 85' ' ' VAL . 25.4 mt-10 -52.23 -37.36 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -79.18 -15.65 57.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.57 -1.57 32.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 65' ' ' LEU . 29.8 mt -118.09 -25.05 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.9 ttmp? -62.41 -43.05 83.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.96 -62.58 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -43.76 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' PHE . 65.6 m-85 -52.5 -60.64 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HB2' HD12 ' A' ' 80' ' ' ILE . 8.0 tp10 -39.19 -43.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -61.38 -38.08 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 16.8 m-85 -77.5 -44.48 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.21 164.32 26.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -80.36 82.13 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 81' ' ' TYR . 97.4 mt -40.2 162.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.592 ' N ' HG22 ' A' ' 80' ' ' ILE . 37.6 t80 -131.95 -35.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -166.73 114.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.5 tp -101.98 135.97 42.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -139.39 122.17 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' A' ' 67' ' ' GLU . 98.9 t -96.44 97.42 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' HB3' ' CD ' ' A' ' 95' ' ' LYS . 48.3 mt -39.03 113.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -139.98 111.79 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.03 179.57 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -127.22 9.05 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.35 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -121.2 -36.18 3.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.19 41.34 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' GLY . 3.2 ttm -33.79 -60.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 62.5 t-80 -124.47 82.86 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' CD ' ' HB3' ' A' ' 86' ' ' LEU . 60.1 mttt -49.5 151.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.12 48.7 3.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p -174.2 170.18 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.01 156.72 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.0 128.12 53.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.452 HD21 ' CE2' ' A' ' 102' ' ' TYR . 13.1 tp -121.5 134.39 55.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -119.38 110.56 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 6.2 m-85 -86.21 131.97 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.1 t -46.69 -55.55 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -98.37 163.31 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -83.67 -57.52 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -44.94 -56.88 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -46.24 -53.71 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -43.79 -37.44 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.24 -53.52 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.56 -50.94 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.77 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.22 -56.34 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.7 m -74.72 -8.26 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.19 -23.9 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.407 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -105.94 -48.09 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -47.51 117.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 45.6 47.09 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -130.59 -43.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.498 ' O ' HG22 ' A' ' 128' ' ' ILE . 19.2 ttmt -123.98 142.22 51.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.6 m -111.06 119.91 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.71 148.57 98.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.9 -17.15 13.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.452 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 70.9 mmm -110.16 125.23 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 125' ' ' ASN . 7.9 t-20 -60.92 -35.91 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -97.54 158.33 33.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -177.51 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.521 HD11 ' CG2' ' A' ' 58' ' ' ILE . 20.4 tt -90.76 131.66 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -102.74 125.15 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.783 HG22 HD12 ' A' ' 58' ' ' ILE . 58.0 t -126.01 115.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -143.21 142.22 21.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' ALA . 53.4 Cg_endo -69.76 111.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.3 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . -37.47 -36.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -103.34 153.39 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.6 m -173.22 116.45 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -131.12 147.21 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 138' ' ' ARG . 17.6 m -62.68 -55.29 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 137' ' ' SER . 5.0 ptp180 36.09 43.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -80.82 -161.88 26.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 48.65 -156.22 1.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.3 t -44.03 -48.14 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 51.23 -158.42 2.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.68 4.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 20.9 m -82.6 44.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.9 m 49.01 42.88 21.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.4 p -114.84 121.27 42.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 m -40.74 -56.88 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.24 159.97 8.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -99.67 130.41 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -72.9 171.65 12.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.58 133.93 7.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' LYS . 3.5 mmt -90.56 106.84 18.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -34.79 140.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -108.02 -60.43 1.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -98.69 -60.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -171.12 148.93 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -94.65 112.26 24.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -92.46 139.81 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 11.4 ttmm -93.75 85.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.728 HD11 ' HB1' ' A' ' 108' ' ' ALA . 46.5 mt -73.55 122.61 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.42 123.18 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.798 HD12 HG22 ' A' ' 130' ' ' VAL . 17.3 mm -108.82 134.37 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.424 ' C ' ' OE1' ' A' ' 60' ' ' GLN . . . -126.16 -174.5 13.88 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 59' ' ' GLY . 24.0 mp0 54.65 53.96 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.571 HG23 HD12 ' A' ' 65' ' ' LEU . 80.7 mt -134.79 127.33 18.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 151.74 69.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 40.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -119.85 0.99 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.571 HD12 HG23 ' A' ' 61' ' ' ILE . 37.5 mt -100.21 172.59 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.07 159.31 42.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.599 ' HG2' HG23 ' A' ' 85' ' ' VAL . 97.4 mt-10 -58.05 -33.29 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -71.7 -14.24 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.17 -15.93 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.6 mt -98.86 -40.48 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 31.9 tttp -56.28 -43.24 99.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.4 Cg_exo -47.97 -63.35 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.4 HD13 ' NZ ' ' A' ' 119' ' ' LYS . 46.7 mt -42.89 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.6 ' HB2' HD11 ' A' ' 80' ' ' ILE . 90.5 m-85 -49.01 -44.54 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HB2' HD12 ' A' ' 80' ' ' ILE . 51.5 tt0 -52.35 -32.78 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -67.88 -30.83 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -87.22 -44.18 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.96 160.4 26.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 4.1 mptt -80.17 81.23 6.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 74' ' ' PHE . 50.9 mt -44.42 142.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 81' ' ' TYR . 5.5 t80 -103.66 -34.27 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -170.74 114.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.4 tp -97.4 145.21 26.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -149.7 116.15 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.599 HG23 ' HG2' ' A' ' 67' ' ' GLU . 37.7 t -96.8 104.11 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 99' ' ' PHE . 25.7 mt -45.05 101.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -133.37 107.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.436 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.2 t70 -63.73 177.98 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -128.58 -2.14 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -106.66 -64.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -134.36 -33.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.03 39.89 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 43.3 mmm -35.23 -39.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -149.2 119.03 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' GLY . 17.7 mtpp -91.27 36.5 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 36.41 47.88 1.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 p -170.44 176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.529 ' HB2' HG13 ' A' ' 85' ' ' VAL . . . -162.93 151.28 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.9 m-85 -102.7 124.48 48.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.525 HD22 ' CD1' ' A' ' 74' ' ' PHE . 20.1 tp -109.13 134.87 51.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.483 ' CG2' ' HB1' ' A' ' 53' ' ' ALA . 31.7 m -122.18 115.64 22.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 2.6 m-85 -96.21 160.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.4 p -82.42 -46.66 13.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -109.93 124.37 51.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -48.87 -57.48 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -42.05 -49.42 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.9 m -54.07 -46.28 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.728 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -53.27 -47.3 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.53 -63.47 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -40.04 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.66 -28.9 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.23 -59.86 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -78.33 -25.89 46.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.35 -14.39 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.406 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 32.9 mt -115.84 -44.1 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -45.48 121.62 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 42.9 34.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.49 -42.79 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 120' ' ' THR . 26.9 ttmt -111.85 149.86 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.439 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 28.1 m -130.18 114.91 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.14 151.2 97.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.96 -23.29 10.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.8 mmm -103.36 121.46 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.37 -35.84 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.32 153.22 39.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -176.57 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.594 HD11 ' CG2' ' A' ' 58' ' ' ILE . 18.4 tt -92.55 140.37 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -108.68 131.93 54.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.798 HG22 HD12 ' A' ' 58' ' ' ILE . 36.2 t -131.87 113.14 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.68 142.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 114.68 3.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.3 -50.02 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -144.0 107.24 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 91.4 p -116.15 43.02 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -96.15 103.08 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 33.5 p -59.12 131.12 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.5 38.46 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -99.84 -100.4 2.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.443 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 148.3 132.49 2.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.6 t -122.44 42.58 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -115.71 174.28 15.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 97.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 0.0 112.395 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.7 t -153.5 162.24 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -120.3 128.55 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -83.22 -50.99 7.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.5 p -87.34 153.18 21.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.14 86.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -77.44 -43.56 32.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.7 p -146.81 163.03 37.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.56 111.84 3.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.63 148.14 33.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' CE ' ' CZ ' ' A' ' 81' ' ' TYR . 13.1 ptpt -72.32 144.08 48.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.56 -61.7 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -121.83 -56.64 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 7.8 p30 -145.06 164.05 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.58 143.21 48.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt -105.01 116.96 49.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 36.6 ttpt -72.38 90.42 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 108' ' ' ALA . 43.0 mt -73.76 125.36 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.97 131.48 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.54 HD12 HG22 ' A' ' 130' ' ' VAL . 7.3 mm -115.38 137.75 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.77 179.99 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 59.43 54.19 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.766 ' CG2' HD12 ' A' ' 65' ' ' LEU . 65.4 mt -126.95 122.95 23.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.42 66.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 26.0 ttm180 -79.92 43.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.527 ' C ' ' ND2' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -124.78 1.36 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.766 HD12 ' CG2' ' A' ' 61' ' ' ILE . 72.3 mt -100.64 167.85 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.08 151.53 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.21 -38.04 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 7.2 mtmp? -71.3 -24.4 62.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -93.48 -19.39 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.5 mt -93.61 -38.82 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.2 tttt -54.6 -43.63 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.554 0.692 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.2 Cg_exo -48.02 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.297 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.6 mt -42.98 -71.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.967 ' HB2' HD11 ' A' ' 80' ' ' ILE . 72.6 m-85 -49.58 -59.9 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.634 ' HG2' HD12 ' A' ' 80' ' ' ILE . 26.9 mm-40 -36.0 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' PHE . 4.5 tp10 -71.51 -51.14 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 44.0 m-85 -71.63 -43.95 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.75 156.32 25.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' ILE . 6.2 ttpt -80.21 78.32 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.967 HD11 ' HB2' ' A' ' 74' ' ' PHE . 76.1 mt -36.19 146.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CZ ' ' CE ' ' A' ' 49' ' ' LYS . 16.2 t80 -108.2 -35.82 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -167.84 112.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.9 tp -99.64 137.83 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.7 m -145.6 119.7 9.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.11 132.04 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 99' ' ' PHE . 69.1 mt -84.64 101.63 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.07 142.38 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.439 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 5.4 t0 -89.15 179.01 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -131.24 0.69 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -110.38 -67.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.2 t -129.17 -36.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -79.47 40.4 2.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.5 mtm -53.97 101.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.525 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 16.0 t-80 63.95 54.97 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -31.09 -64.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.05 36.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.438 ' SG ' ' CD1' ' A' ' 86' ' ' LEU . 26.5 p -151.62 175.15 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.45 156.97 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.53 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 4.7 m-85 -107.49 134.24 50.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 tp -127.09 120.85 29.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.6 m -105.33 111.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' HD2' HD12 ' A' ' 56' ' ' LEU . 7.2 m-85 -89.94 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 24.5 p -60.54 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -101.01 151.45 21.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -77.41 -55.18 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -50.21 -48.67 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.0 m -52.62 -51.85 58.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -47.39 -45.86 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.2 mt -52.63 -60.36 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 37.5 mttm -38.75 -62.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.29 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.86 -60.02 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -76.34 -25.41 54.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.74 -23.41 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -106.29 -44.57 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -47.39 124.52 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 43.84 33.31 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -121.38 -47.07 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -104.45 151.86 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.0 m -131.39 92.79 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.474 HD13 HD11 ' A' ' 65' ' ' LEU . 75.6 mt -41.62 150.8 0.33 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.59 27.91 8.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.5 mmm -140.01 112.61 7.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -52.37 -38.78 59.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -100.15 155.54 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.0 tt -97.64 130.19 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.91 138.51 33.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.54 HG22 HD12 ' A' ' 58' ' ' ILE . 74.5 t -143.14 124.63 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -156.28 152.95 24.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ALA . 54.0 Cg_endo -69.76 104.27 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . -34.07 -46.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -134.88 147.91 49.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.5 t -174.36 174.93 2.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -102.6 143.58 32.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.8 t -126.7 -54.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -59.03 141.19 54.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.12 133.17 6.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.47 67.68 3.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.7 t -56.02 -50.92 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 112.89 146.07 9.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 144.1 52.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.378 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 95.1 p -78.27 125.25 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.1 t -127.31 125.43 40.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -114.67 42.03 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -55.72 -44.22 77.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.07 171.65 54.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 m -96.32 83.54 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -39.84 149.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.55 -39.67 90.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.5 46.2 12.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 15.1 pttp -51.79 138.37 23.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.78 170.05 2.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -41.74 -45.19 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.65 155.23 18.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -165.08 126.28 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -103.63 124.39 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HD2' ' CD1' ' A' ' 99' ' ' PHE . 7.9 ttpm? -88.76 99.81 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 56' ' ' LEU . 21.1 mt -73.74 119.42 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -91.02 125.01 35.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.716 HD12 HG22 ' A' ' 130' ' ' VAL . 14.3 mm -108.71 137.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.57 176.73 18.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 62.01 52.11 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.644 HG23 HD12 ' A' ' 65' ' ' LEU . 82.8 mt -127.26 126.17 24.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 154.34 67.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.36 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.44 ' HB3' ' CG ' ' A' ' 94' ' ' HIS . 6.0 ptp180 -81.27 41.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -122.59 2.41 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.644 HD12 HG23 ' A' ' 61' ' ' ILE . 69.9 mt -100.37 170.27 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -140.12 151.82 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' CG ' HG23 ' A' ' 85' ' ' VAL . 37.2 mt-10 -53.65 -34.06 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 42.3 mttp -71.05 -20.38 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 1.5 m-20 -102.79 -17.86 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.437 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.2 mt -93.95 -42.68 8.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 62.3 tttt -55.2 -43.37 99.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.96 -63.01 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.5 mt -41.86 -72.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.961 ' HB2' HD11 ' A' ' 80' ' ' ILE . 74.3 m-85 -49.13 -52.26 27.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.929 ' HG2' HD12 ' A' ' 80' ' ' ILE . 15.8 mm-40 -39.18 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.8 mt-10 -70.99 -49.83 40.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -71.81 -43.69 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.45 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.36 153.79 23.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -80.22 79.2 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.961 HD11 ' HB2' ' A' ' 74' ' ' PHE . 53.7 mt -39.8 149.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 49' ' ' LYS . 7.6 t80 -112.12 -35.74 5.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -162.7 113.07 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.89 137.72 38.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 m -145.14 121.73 11.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.506 HG23 ' CG ' ' A' ' 67' ' ' GLU . 40.7 t -96.12 109.13 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 99' ' ' PHE . 35.6 mt -53.41 104.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -139.91 128.03 22.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.419 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 2.2 t70 -73.17 -178.96 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.465 ' N ' ' HD2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -133.37 2.59 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.21 -63.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -131.91 -31.65 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.98 40.72 2.33 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.44 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 15.3 ptt? -34.45 -43.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 63' ' ' ARG . 49.0 t-80 -148.69 107.12 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -67.98 -57.82 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 135.33 39.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.5 p -168.83 173.63 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.58 153.07 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 86' ' ' LEU . 3.4 m-85 -104.18 126.25 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.635 HD11 HG12 ' A' ' 80' ' ' ILE . 23.4 tp -114.5 148.46 37.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.1 m -133.26 107.34 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.45 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 3.5 m-85 -90.87 127.98 36.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 p -49.8 -46.95 51.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -102.11 161.22 13.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -85.34 -56.53 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.91 -47.83 52.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.7 p -52.17 -34.92 47.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.36 -49.09 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 6.2 mtpm? -52.59 -56.39 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.67 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 56' ' ' LEU . 25.8 mt-30 -60.95 -58.94 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 t -76.62 -21.9 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -78.23 -21.2 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.3 mt -109.52 -49.75 3.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -45.64 126.36 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 39.21 38.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.31 -44.78 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 120' ' ' THR . 11.4 ttmt -119.65 148.02 43.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.464 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 26.9 m -125.62 110.51 13.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.458 HD13 HD11 ' A' ' 65' ' ' LEU . 89.6 mt -61.04 149.89 80.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.9 6.78 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.1 -24.56 9.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.4 mmm -102.8 118.21 36.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -57.16 -32.63 66.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.71 154.79 37.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -178.9 2.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.26 . . . . 0.0 112.318 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 58' ' ' ILE . 19.8 tt -91.66 136.46 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -101.13 140.94 34.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.716 HG22 HD12 ' A' ' 58' ' ' ILE . 44.3 t -142.52 119.77 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -151.36 152.94 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.555 0.693 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.76 5.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.8 80.96 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -150.16 137.21 19.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 70.5 m -147.18 135.77 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.549 ' N ' ' CD ' ' A' ' 136' ' ' GLU . 0.2 OUTLIER -139.16 116.7 11.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 78.1 p -82.11 44.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 138' ' ' ARG . 0.3 OUTLIER -101.91 81.0 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 36.93 -122.0 0.8 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 163.71 106.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.0 t -107.37 -56.92 2.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 110.833 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 169.37 90.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 144' ' ' SER . 53.0 Cg_endo -69.84 1.07 4.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.291 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 143' ' ' PRO . 12.8 m -34.97 -49.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.0 t -129.56 132.57 46.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.498 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 m -50.39 -47.15 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 t -85.45 154.0 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.9 -41.3 1.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.3 p -63.62 -51.81 63.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -63.37 138.73 58.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.12 -92.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.443 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -104.23 174.87 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 48' ' ' MET . 2.1 mptt -127.7 145.66 50.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LYS . 1.2 m-20 -34.34 109.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -38.63 -50.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -92.22 74.75 5.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.93 169.93 17.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.4 mt -103.07 131.99 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 17.4 ttmm -90.62 88.84 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.736 HD11 ' HB1' ' A' ' 108' ' ' ALA . 66.2 mt -73.4 122.16 21.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -94.41 134.12 37.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.785 HD12 HG22 ' A' ' 130' ' ' VAL . 9.6 mm -118.12 125.07 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.31 -176.88 19.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG3' ' HE2' ' A' ' 124' ' ' MET . 5.1 tp60 54.71 52.6 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.879 HG23 HD12 ' A' ' 65' ' ' LEU . 90.3 mt -121.17 118.66 30.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.21 63.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.467 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 42.8 ttp85 -80.01 41.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -126.37 4.59 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.879 HD12 HG23 ' A' ' 61' ' ' ILE . 84.7 mt -100.68 179.84 4.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -140.77 165.79 26.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HG2' HD23 ' A' ' 83' ' ' LEU . 3.3 tt0 -70.7 -37.97 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 46.8 mttt -80.9 -14.08 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -92.29 -20.35 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.673 HD21 HD13 ' A' ' 65' ' ' LEU . 30.0 mt -98.26 -32.05 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.627 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 71.9 tttt -58.66 -42.71 95.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.1 Cg_exo -48.01 -63.36 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.6 mt -43.91 -72.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.611 ' HB2' HD11 ' A' ' 80' ' ' ILE . 77.5 m-85 -49.55 -38.73 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.536 ' HB2' HD12 ' A' ' 80' ' ' ILE . 81.6 tt0 -59.61 -33.69 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -66.9 -26.26 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -91.77 -43.21 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.3 161.6 26.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.92 75.72 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 74' ' ' PHE . 71.3 mt -37.98 149.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.157 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -106.69 -45.61 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -165.95 112.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.617 HD23 ' HG2' ' A' ' 67' ' ' GLU . 42.9 tp -95.64 151.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.0 m -156.34 116.8 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.44 128.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 99' ' ' PHE . 76.8 mt -76.8 98.92 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -138.39 110.08 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -49.71 179.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -129.82 -0.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -111.39 -70.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -129.67 -28.0 2.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.428 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -81.22 34.29 2.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.1 mmm -53.13 101.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.473 ' O ' ' C ' ' A' ' 95' ' ' LYS . 2.6 t60 74.21 55.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' HIS . 15.6 mttm -31.74 -60.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.52 36.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 86' ' ' LEU . 17.2 p -163.56 174.86 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.47 144.6 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 6.9 m-85 -100.32 132.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.509 HD13 HD13 ' A' ' 83' ' ' LEU . 17.5 tp -124.75 152.72 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.8 m -132.89 125.23 29.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.48 ' CD2' HD12 ' A' ' 56' ' ' LEU . 16.8 m-85 -99.61 141.69 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.439 ' CB ' ' HG3' ' A' ' 49' ' ' LYS . 2.7 t -44.59 -53.3 7.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -113.07 155.97 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -65.54 -61.59 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -43.79 -56.55 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.0 m -40.29 -59.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.736 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -40.15 -50.77 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -47.08 -55.18 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -41.91 -70.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.45 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.407 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 4.3 tt0 -60.1 -55.4 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.1 m -77.21 -28.96 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.82 -14.13 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.595 HD13 ' CE1' ' A' ' 74' ' ' PHE . 29.1 mt -112.85 -48.05 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -44.63 132.29 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 40.0 36.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.82 -41.42 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -116.5 149.04 40.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.2 m -121.52 100.25 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.452 HD22 HD11 ' A' ' 65' ' ' LEU . 56.6 mt -46.99 152.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.24 11.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.55 30.05 22.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.43 ' HE2' ' HG3' ' A' ' 60' ' ' GLN . 70.3 mmm -140.01 115.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -55.9 -38.3 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -100.14 159.07 30.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.548 0.689 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -174.53 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.525 HD11 HG21 ' A' ' 58' ' ' ILE . 18.7 tt -93.5 134.17 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -98.26 129.63 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.785 HG22 HD12 ' A' ' 58' ' ' ILE . 57.7 t -135.99 112.98 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.416 ' HD2' ' O ' ' A' ' 130' ' ' VAL . 22.4 mmmt -146.17 152.85 47.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.407 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.7 Cg_endo -69.79 125.92 12.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -62.81 -53.35 55.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.27 88.32 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.2 t -64.11 135.85 56.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 136' ' ' GLU . 0.1 OUTLIER -84.82 42.82 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.1 t -117.73 96.83 5.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -60.35 -44.04 95.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -147.74 -130.08 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.36 -113.81 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.478 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.4 p -82.24 159.11 23.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.78 -169.22 12.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.443 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.04 25.54 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.8 t -84.71 138.75 32.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.8 t -113.38 172.41 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.535 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.6 m -48.52 -56.76 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.8 t -70.98 118.17 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -139.41 147.7 19.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -114.84 84.27 2.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -110.26 42.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.23 89.12 1.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -154.05 127.18 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 81' ' ' TYR . 25.4 pttt -58.88 101.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -111.55 -60.93 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -65.03 -60.09 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -174.38 132.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.21 133.2 53.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.1 mt -117.22 124.11 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -73.01 98.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD12 ' CD1' ' A' ' 102' ' ' TYR . 40.4 mt -85.72 117.65 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.46 124.55 34.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.866 HD12 HG22 ' A' ' 130' ' ' VAL . 11.5 mm -108.9 136.93 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.61 179.29 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 127' ' ' PRO . 0.3 OUTLIER 68.3 42.42 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.749 ' CG2' HD12 ' A' ' 65' ' ' LEU . 46.4 mt -124.62 132.11 24.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 158.08 58.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.797 ' H ' ' NE ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -84.57 42.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -126.07 4.8 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.749 HD12 ' CG2' ' A' ' 61' ' ' ILE . 51.2 mt -100.62 175.12 5.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.31 179.4 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.9 mp0 -74.61 -43.01 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -73.97 -12.2 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -98.16 -13.39 20.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.8 mt -110.74 -28.32 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 18.2 tttm -55.85 -44.34 99.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.7 Cg_exo -48.0 -63.27 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' PRO . 81.7 mt -37.7 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.869 ' HB2' HD11 ' A' ' 80' ' ' ILE . 44.5 m-85 -54.55 -58.47 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' CD ' ' HG2' ' A' ' 71' ' ' LYS . 9.7 mt-10 -36.52 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.2 tp10 -71.79 -46.38 58.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 30.6 m-85 -80.17 -44.66 19.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.92 151.55 22.54 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.66 86.26 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 74' ' ' PHE . 70.7 mt -41.22 148.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 49' ' ' LYS . 17.6 t80 -104.55 -34.9 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -168.26 112.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.756 HD13 HD13 ' A' ' 100' ' ' LEU . 48.3 tp -98.97 144.85 27.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -151.53 124.44 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.35 99.35 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.81 HD11 ' CE2' ' A' ' 99' ' ' PHE . 67.9 mt -47.62 111.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -138.49 119.58 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.75 171.24 6.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -118.89 -2.29 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -104.55 -74.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -126.9 -27.97 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.39 42.15 2.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' GLY . 56.9 tpp -33.88 -55.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 53.5 t-80 -134.92 75.36 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.5 mtmt -35.03 -61.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.95 41.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.5 p -169.71 169.73 8.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.04 155.65 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.81 ' CE2' HD11 ' A' ' 86' ' ' LEU . 14.3 m-85 -101.19 137.99 38.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.756 HD13 HD13 ' A' ' 83' ' ' LEU . 15.4 tp -127.46 144.03 51.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.5 m -126.03 110.86 14.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.653 ' CD1' HD12 ' A' ' 56' ' ' LEU . 10.6 m-85 -85.66 132.73 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 64.6 m -61.0 -37.14 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.18 144.06 39.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -69.27 -58.64 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.03 -46.64 75.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 t -49.9 -56.35 10.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.606 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -42.75 -49.32 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.9 mt -48.28 -52.13 22.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -44.82 -70.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.438 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -50.67 -30.47 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -59.72 -52.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -82.92 -15.95 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -85.07 -15.74 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.1 mt -116.01 -44.58 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -51.46 122.1 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 45.74 31.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -117.45 -39.94 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 120' ' ' THR . 23.2 ttpp -121.99 155.39 35.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.43 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.1 m -126.54 116.68 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.448 ' CD1' HG12 ' A' ' 61' ' ' ILE . 39.7 mt -65.8 152.86 92.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.25 42.35 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.42 79.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.2 mmm -131.33 136.17 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -78.35 -32.53 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -100.31 153.69 37.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.681 0.753 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.488 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 53.4 Cg_endo -69.75 -179.95 3.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.6 tt -89.35 137.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -105.23 135.94 45.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.866 HG22 HD12 ' A' ' 58' ' ' ILE . 91.9 t -138.52 109.41 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -139.47 152.94 70.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.474 ' HA ' HD23 ' A' ' 56' ' ' LEU . 54.2 Cg_endo -69.75 108.3 2.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.448 ' CB ' ' HE3' ' A' ' 55' ' ' LYS . . . -40.81 -49.91 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -41.62 158.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.1 t -164.15 146.62 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.43 ' OE1' ' C ' ' A' ' 137' ' ' SER . 1.0 OUTLIER -164.28 143.01 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.43 ' C ' ' OE1' ' A' ' 136' ' ' GLU . 29.2 t -73.46 81.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -94.14 145.81 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -143.66 85.65 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -167.91 151.57 18.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.5 t -114.65 144.41 43.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -117.54 151.98 17.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 86.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 53.8 p -92.61 59.42 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 25.1 m 46.49 45.31 13.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.506 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -119.0 42.15 2.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.2 p -102.33 133.77 46.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.84 -142.28 27.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.5 p -53.22 117.15 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 m -56.74 -61.53 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.35 125.32 0.76 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.9 mtm -150.2 166.52 29.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.554 ' HG3' ' HB2' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -79.28 136.77 37.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.21 -51.27 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -94.73 162.61 13.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.92 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB2' ' HG3' ' A' ' 49' ' ' LYS . . . -68.31 141.93 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.25 117.74 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.556 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 34.9 ttpt -76.54 92.26 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.809 HD11 ' HB1' ' A' ' 108' ' ' ALA . 46.2 mt -77.43 124.53 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.95 133.72 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.589 ' CD1' HG13 ' A' ' 130' ' ' VAL . 7.1 mm -115.41 127.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.18 -174.02 15.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 54.89 54.36 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.012 HG23 HD12 ' A' ' 65' ' ' LEU . 90.0 mt -126.07 125.74 24.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 153.49 68.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' HG2' ' ND1' ' A' ' 94' ' ' HIS . 15.0 mtt85 -79.54 43.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.86 10.64 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.012 HD12 HG23 ' A' ' 61' ' ' ILE . 71.0 mt -100.82 168.54 9.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.05 155.34 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.06 -43.94 67.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -67.5 -21.8 65.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -97.01 3.3 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.548 HD21 HD13 ' A' ' 65' ' ' LEU . 30.9 mt -118.14 -37.96 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.4 tppp? -56.75 -43.29 99.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.93 -63.61 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -42.15 -72.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 1.016 ' HB2' HD11 ' A' ' 80' ' ' ILE . 79.5 m-85 -49.96 -58.93 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HG2' HD12 ' A' ' 80' ' ' ILE . 12.7 mm-40 -37.16 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 11.9 tp10 -67.91 -49.26 62.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' PHE . 77.0 m-85 -77.46 -43.57 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.42 137.4 8.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' ILE . 2.9 ttmp? -65.68 80.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.016 HD11 ' HB2' ' A' ' 74' ' ' PHE . 78.9 mt -36.86 151.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.49 ' CE2' ' HE2' ' A' ' 49' ' ' LYS . 60.0 t80 -108.51 -43.97 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.32 112.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 tp -98.9 141.13 32.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.2 m -143.96 123.74 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -83.03 131.81 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' A' ' 99' ' ' PHE . 73.0 mt -83.72 98.17 9.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 149.97 51.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.433 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 6.2 t0 -82.42 176.8 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -127.5 -8.61 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -100.32 -68.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.3 t -128.32 -31.7 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -75.03 47.14 1.89 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' GLY . 2.1 ptt? -36.5 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' GLY . 17.6 t-80 -163.97 111.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -76.93 -65.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.46 44.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.0 p -163.59 170.4 17.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.39 152.56 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.762 ' CD2' HD21 ' A' ' 86' ' ' LEU . 3.3 m-85 -101.83 132.3 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.4 tp -118.26 148.18 42.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.414 HG23 ' HB3' ' A' ' 53' ' ' ALA . 86.8 m -129.79 104.86 7.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.57 ' HD2' HD12 ' A' ' 56' ' ' LEU . 4.6 m-85 -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -57.9 -61.5 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.27 159.75 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -85.73 -46.38 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 107' ' ' SER . 10.4 pt-20 -67.17 -43.46 82.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 10.6 t -48.97 -54.26 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.809 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -43.43 -37.1 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.82 -47.05 87.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -69.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -54.37 -33.68 59.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.09 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 33.6 m -77.4 -23.16 50.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.44 ' HA ' ' CD ' ' A' ' 118' ' ' GLN . . . -76.47 -21.04 56.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 71.6 mt -108.21 -41.99 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.759 ' HD2' ' H ' ' A' ' 130' ' ' VAL . 21.9 t-80 -56.74 124.92 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 40.92 35.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 113' ' ' SER . 7.9 mt-30 -122.83 -46.33 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 120' ' ' THR . 16.4 tttm -121.36 146.0 47.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.3 m -119.71 132.66 55.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.663 HD13 HD11 ' A' ' 65' ' ' LEU . 75.7 mt -82.78 152.86 66.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.77 -28.26 7.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.2 mmm -104.45 123.68 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.39 -34.61 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 126' ' ' ARG . 13.8 mtp-105 -96.12 155.38 38.26 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.96 10.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.476 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.6 tt -87.09 140.64 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -105.59 134.99 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.759 ' H ' ' HD2' ' A' ' 116' ' ' HIS . 26.3 t -134.37 113.91 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -146.32 152.83 47.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.504 ' CA ' HD23 ' A' ' 56' ' ' LEU . 54.0 Cg_endo -69.79 133.52 25.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.19 102.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -95.95 161.88 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 60.7 p -170.29 177.78 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -167.06 148.63 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.4 m -115.98 163.2 16.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -66.64 150.01 49.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -106.09 -178.41 23.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -149.45 169.37 29.72 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 9.1 t -97.34 165.4 12.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.945 0.403 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -170.48 65.06 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 99.01 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.246 . . . . 0.0 112.299 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 44.3 t -62.76 105.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.8 m 53.16 42.21 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 m 44.39 41.29 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 t -43.72 109.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.22 108.04 1.75 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -44.5 140.68 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.9 t -120.47 118.45 30.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.97 45.32 8.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.79 107.32 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 152.93 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -111.27 -44.13 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -116.17 174.97 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.13 102.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB1' HG23 ' A' ' 101' ' ' THR . . . -54.93 127.3 28.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.6 mt -101.5 137.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 16.4 ttmt -90.58 90.17 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 HD23 ' A' ' 100' ' ' LEU . 68.4 mt -75.07 122.6 23.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -95.85 113.79 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.831 HD12 HG22 ' A' ' 130' ' ' VAL . 6.8 mm -106.91 133.26 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.31 -171.1 14.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 55.68 54.87 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.722 HG23 HD12 ' A' ' 65' ' ' LEU . 73.6 mt -130.43 120.49 18.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 160.36 49.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 38.7 ptt85 -85.05 42.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.15 4.66 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.735 HD13 HD21 ' A' ' 70' ' ' LEU . 70.0 mt -100.48 171.7 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.04 149.16 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' HG23 ' A' ' 85' ' ' VAL . 76.5 mt-10 -51.51 -41.88 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -72.08 -16.56 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.75 -17.48 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.735 HD21 HD13 ' A' ' 65' ' ' LEU . 30.3 mt -100.42 -33.62 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.6 ttmp? -53.76 -43.91 97.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.0 Cg_exo -47.92 -63.2 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD13 ' HZ3' ' A' ' 119' ' ' LYS . 47.7 mt -39.8 -72.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.475 ' HB2' HD11 ' A' ' 80' ' ' ILE . 84.7 m-85 -53.19 -56.23 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.69 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.2 tp10 -73.48 -48.03 36.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.45 -44.0 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.84 158.78 26.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.24 93.15 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 61.7 mt -49.51 155.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.467 ' N ' HG22 ' A' ' 80' ' ' ILE . 12.4 t80 -120.63 -33.52 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -172.03 112.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 tp -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.6 m -140.9 125.92 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.436 HG23 ' CG ' ' A' ' 67' ' ' GLU . 77.3 t -96.34 97.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 99' ' ' PHE . 67.4 mt -51.18 109.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.97 122.02 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.4 t70 -68.75 176.34 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -129.7 1.63 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.71 -68.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.9 t -128.9 -38.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.44 44.5 1.96 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' GLY . 54.9 mmm -33.83 -46.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.8 t-80 -134.76 76.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' HIS . 40.7 mttm -35.86 -45.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.98 1.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.4 p -162.96 175.7 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.07 151.75 25.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 11.4 m-85 -101.74 130.87 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.435 HD23 HD12 ' A' ' 56' ' ' LEU . 14.8 tp -115.3 152.15 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.592 HG23 ' HB1' ' A' ' 53' ' ' ALA . 95.6 m -133.72 118.04 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -100.25 126.04 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.1 m -43.03 -48.72 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -106.06 148.04 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -70.22 -59.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 107' ' ' SER . 61.4 tt0 -42.42 -58.81 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 106' ' ' GLU . 5.2 t -37.8 -50.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.2 -46.25 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -51.35 -34.46 34.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -68.6 -69.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -49.92 -28.69 7.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -58.24 -70.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -66.99 -16.26 64.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -80.81 -32.16 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.7 mt -103.17 -19.08 14.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -71.68 123.36 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 43.86 42.15 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -131.65 -33.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.3 ttmt -121.09 148.36 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.458 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 7.0 m -127.73 98.79 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 44.4 mt -48.35 151.32 1.93 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 124.0 10.64 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.02 24.75 18.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.2 mmm -140.03 117.88 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -58.29 -38.01 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 -100.1 152.75 37.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -178.21 2.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.765 HD11 HG21 ' A' ' 58' ' ' ILE . 11.0 tt -90.48 136.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -107.03 130.81 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.831 HG22 HD12 ' A' ' 58' ' ' ILE . 44.5 t -126.94 113.16 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -142.09 139.79 18.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 134' ' ' ASP . 54.2 Cg_endo -69.76 129.28 17.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.474 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . -53.87 84.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 132' ' ' PRO . 1.8 m-20 -108.51 94.97 5.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 88.4 p -108.15 136.44 47.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -157.25 166.81 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 74.1 m -118.75 99.3 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -157.24 120.43 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -87.31 -150.43 18.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -139.98 -179.58 17.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 m -108.0 94.2 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -107.54 177.74 21.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.61 56.38 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 11.3 t -171.03 148.57 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.2 p -70.33 -6.53 35.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -52.42 98.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 t -141.0 172.29 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.92 109.22 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 m -109.35 176.21 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.805 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.1 p -130.75 123.8 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.35 -177.56 23.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.5 mtp -80.47 -72.13 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 146.46 39.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.82 -62.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -127.36 -41.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -173.12 142.06 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.639 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -98.43 136.51 38.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.2 mt -93.44 130.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 27.0 ttpt -86.15 88.31 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 108' ' ' ALA . 51.8 mt -74.14 127.37 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -95.29 119.95 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.623 HD12 HG22 ' A' ' 130' ' ' VAL . 12.2 mm -105.79 129.67 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.72 -172.51 14.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 55.99 43.67 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.749 0.309 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.614 HG23 HD12 ' A' ' 65' ' ' LEU . 95.8 mt -119.78 125.61 27.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.466 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.8 Cg_endo -69.74 171.2 14.87 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 3.3 mpt_? -98.34 44.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -131.45 7.79 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.652 HD13 HD21 ' A' ' 70' ' ' LEU . 78.3 mt -101.15 171.6 7.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.17 153.22 46.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' HG23 ' A' ' 85' ' ' VAL . 42.7 mt-10 -55.42 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -72.15 -18.99 61.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.07 -17.84 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 65' ' ' LEU . 30.6 mt -99.08 -28.49 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 66.4 tttt -55.92 -43.18 99.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.698 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.1 Cg_exo -48.01 -63.11 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.46 HD22 ' HE3' ' A' ' 119' ' ' LYS . 72.7 mt -41.96 -72.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 76' ' ' GLU . 67.9 m-85 -52.95 -59.96 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -40.78 -24.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' PHE . 6.3 tp10 -77.82 -45.51 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' PHE . 39.3 m-85 -76.5 -44.02 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.69 162.77 26.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.2 88.88 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 80.5 mt -41.15 138.22 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -101.94 -37.49 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 25.7 tt0 -171.58 112.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 31.3 tp -97.75 136.46 38.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.7 m -144.44 121.74 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.434 HG23 ' CG ' ' A' ' 67' ' ' GLU . 84.8 t -90.79 119.88 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.621 HD12 ' SG ' ' A' ' 97' ' ' CYS . 83.3 mt -59.62 118.77 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -132.4 119.66 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.412 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.7 t70 -66.43 -179.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -131.08 12.69 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -128.86 -71.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -124.84 -30.93 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.27 40.24 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' GLY . 13.8 mmt -33.19 -46.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.526 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.9 t-80 -134.96 93.23 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -63.51 169.72 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.03 45.03 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.621 ' SG ' HD12 ' A' ' 86' ' ' LEU . 23.3 p -162.35 170.3 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.26 151.27 27.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.542 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 7.1 m-85 -101.59 129.16 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.3 tp -117.33 149.79 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.639 ' CG2' ' HB1' ' A' ' 53' ' ' ALA . 23.6 m -132.13 119.25 20.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -100.6 126.48 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.1 p -50.63 -47.77 58.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -96.98 151.23 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -80.8 -47.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.01 -42.31 94.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.6 p -54.35 -35.69 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.7 mt -54.12 -51.53 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -54.04 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.47 60.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -57.68 -58.1 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.5 m -76.65 -18.07 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -84.6 -14.38 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.5 mt -113.95 -42.68 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -49.41 131.78 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 38.75 36.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -46.73 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.46 ' HE3' HD22 ' A' ' 73' ' ' LEU . 18.8 mttm -108.92 150.16 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.0 m -128.79 91.39 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 62' ' ' PRO . 94.3 mt -41.39 152.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 134.49 28.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.66 26.51 53.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.4 mmm -137.55 119.65 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.91 -36.86 82.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -100.06 154.78 37.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.52 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 128' ' ' ILE . 16.6 tt -97.08 127.3 49.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.16 137.95 33.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.623 HG22 HD12 ' A' ' 58' ' ' ILE . 56.9 t -137.38 115.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -145.05 142.37 18.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.417 ' HA ' HD23 ' A' ' 56' ' ' LEU . 53.2 Cg_endo -69.82 115.3 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -45.6 -48.53 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.18 95.67 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.5 t -80.7 152.96 28.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.34 146.31 5.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.4 p -93.06 108.99 20.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -146.61 149.38 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.85 -84.39 0.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 137.84 84.33 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 69.5 m -51.03 -44.67 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 128.76 156.84 9.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 125.01 11.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.323 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 41.8 p -78.08 133.66 37.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.4 t -103.82 156.47 17.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -115.95 137.81 51.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -172.18 118.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.27 106.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 m -136.11 177.41 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -168.19 121.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.88 71.85 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.9 ptp -174.0 121.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HE2' ' CE2' ' A' ' 81' ' ' TYR . 16.6 ptpt -50.85 138.57 18.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -168.4 167.27 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 67.96 39.23 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' ALA . 21.1 t70 66.5 47.81 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -36.41 151.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' A' ' 105' ' ' ARG . 52.3 mt -117.54 147.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.696 ' HD2' ' HB3' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -104.8 116.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.812 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.517 HD11 ' HB1' ' A' ' 108' ' ' ALA . 20.1 mt -92.37 123.94 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -98.06 113.65 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.852 ' CG2' HD11 ' A' ' 128' ' ' ILE . 8.2 mm -97.53 132.56 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.53 -172.49 13.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 54.47 54.76 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.612 ' CG2' HD12 ' A' ' 65' ' ' LEU . 46.6 mt -131.96 133.95 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' A' ' 61' ' ' ILE . 53.9 Cg_endo -69.78 -176.8 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HA ' ' ND1' ' A' ' 94' ' ' HIS . 25.7 ptt-85 -110.97 44.84 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 62' ' ' PRO . 19.2 p30 -127.98 5.28 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.612 HD12 ' CG2' ' A' ' 61' ' ' ILE . 28.7 mt -101.09 172.5 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.06 159.01 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 4.0 mp0 -60.75 -21.59 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -89.07 -10.83 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.28 -6.15 16.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.448 HD21 HD13 ' A' ' 65' ' ' LEU . 28.3 mt -110.08 -28.93 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.632 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 46.1 tttt -58.88 -42.68 95.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.9 Cg_exo -48.0 -62.61 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.4 mt -44.62 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CD1' HD22 ' A' ' 100' ' ' LEU . 74.8 m-85 -49.66 -58.92 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HB2' HD12 ' A' ' 80' ' ' ILE . 12.9 tp10 -46.21 -20.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -77.29 -42.82 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.67 -43.82 22.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.72 162.4 26.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -80.16 94.29 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 81' ' ' TYR . 70.2 mt -48.71 160.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' N ' HG22 ' A' ' 80' ' ' ILE . 4.8 t80 -122.83 -38.27 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -169.76 112.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.4 tp -98.87 132.99 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -139.32 122.1 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.688 HG12 ' HD2' ' A' ' 87' ' ' LYS . 46.8 t -83.16 130.45 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.685 HD11 ' CE2' ' A' ' 99' ' ' PHE . 85.1 mt -89.67 95.15 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.688 ' HD2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.29 164.13 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.14 -178.66 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HG2' ' CD1' ' A' ' 90' ' ' PHE . 8.6 ptm180 -130.09 -5.41 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CD1' ' HG2' ' A' ' 89' ' ' ARG . 93.8 m-85 -107.91 -74.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.2 t -113.42 -35.17 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -77.03 46.55 2.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 92' ' ' GLY . 16.2 ptm -30.99 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 92' ' ' GLY . 3.5 t-80 -158.41 110.76 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -67.96 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.22 47.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.6 p -171.02 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.06 155.32 33.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 86' ' ' LEU . 2.5 m-85 -105.1 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD22 ' CD1' ' A' ' 74' ' ' PHE . 17.4 tp -113.22 142.57 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.8 m -128.14 108.5 10.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.407 ' CE2' HD21 ' A' ' 100' ' ' LEU . 5.0 m-85 -90.19 123.39 33.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -39.55 -57.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -94.05 114.07 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.494 ' HB2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -49.31 -42.05 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -58.45 -41.57 85.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -46.45 67.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -51.83 -36.74 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.1 mt -55.35 -35.37 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -72.42 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.69 -19.38 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.065 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -67.51 -65.64 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 t -75.19 -13.88 60.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.87 -18.84 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.0 mt -112.84 -49.35 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -41.97 128.1 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 39.92 47.19 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -130.49 -51.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.3 ttmm -116.82 141.51 48.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.1 m -116.92 130.16 56.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.88 152.39 74.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.12 6.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.329 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.3 -26.54 7.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.421 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 71.4 mmm -104.56 121.73 44.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -59.12 -33.07 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -99.73 153.99 37.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.852 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.3 tt -84.13 142.23 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -111.37 136.32 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.511 HG22 HD12 ' A' ' 58' ' ' ILE . 41.5 t -134.77 117.55 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -143.93 140.16 16.84 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 107.63 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.696 ' HB3' ' HD2' ' A' ' 55' ' ' LYS . . . -46.41 -48.87 18.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -43.42 119.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.1 m -83.26 -56.48 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -159.61 156.64 28.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 68.0 m -99.93 82.73 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -52.74 113.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -114.52 116.49 3.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 166.86 81.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 77.3 p -54.36 148.92 10.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -124.19 93.78 0.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.99 37.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 44.1 t 50.56 46.87 25.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 51.0 m 61.62 43.4 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -99.79 84.78 2.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.9 p -168.26 157.77 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.09 -139.58 4.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.8 m -108.26 95.68 5.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.813 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 t -110.56 -53.6 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.95 109.51 0.77 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.533 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 55.1 ttp -162.94 109.28 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.9 162.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -104.49 -50.01 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -115.41 174.52 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.89 122.74 2.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.08 143.71 26.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.3 mt -117.2 142.66 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 38.0 ttpt -92.31 99.95 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 102' ' ' TYR . 43.9 mt -78.06 130.28 36.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' HB2' ' HB2' ' A' ' 133' ' ' ALA . 7.5 t80 -99.48 116.51 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.717 ' CG2' HD11 ' A' ' 61' ' ' ILE . 9.8 mm -103.91 128.56 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.53 -176.29 14.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 55.97 54.96 7.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.717 HD11 ' CG2' ' A' ' 58' ' ' ILE . 84.4 mt -131.84 132.86 23.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.545 ' O ' ' CE1' ' A' ' 94' ' ' HIS . 53.0 Cg_endo -69.79 -168.24 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HB3' ' ND1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -118.91 44.88 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -132.16 11.05 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.807 HD13 HD21 ' A' ' 70' ' ' LEU . 67.0 mt -100.33 171.98 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.79 157.27 46.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.9 mp0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 14.7 ptpt -77.27 -10.92 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.38 -20.54 14.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.807 HD21 HD13 ' A' ' 65' ' ' LEU . 43.1 mt -101.22 -39.21 7.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.2 ttmm -53.37 -46.02 98.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.6 Cg_exo -47.95 -55.53 3.93 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.595 HD22 ' NZ ' ' A' ' 119' ' ' LYS . 41.9 mt -45.33 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 1.027 ' HB2' HD11 ' A' ' 80' ' ' ILE . 75.1 m-85 -51.27 -50.55 59.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 5.8 tt0 -40.08 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.9 tt0 -76.33 -41.59 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 74' ' ' PHE . 66.7 m-85 -78.77 -43.64 25.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.62 158.29 26.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' ILE . 38.6 tttt -80.13 75.26 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.027 HD11 ' HB2' ' A' ' 74' ' ' PHE . 80.1 mt -36.5 143.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -108.36 -34.92 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' C ' ' OE1' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -160.93 135.01 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 67' ' ' GLU . 31.3 tp -123.04 131.38 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 m -138.35 126.37 22.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.402 HG21 ' OE2' ' A' ' 67' ' ' GLU . 86.7 t -90.6 102.29 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 99' ' ' PHE . 42.8 mt -56.08 92.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -135.82 138.13 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.06 179.05 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.19 4.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -116.94 -70.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -124.79 -27.72 3.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.5 40.93 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' GLY . 48.2 mtp -34.07 -38.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.545 ' CE1' ' O ' ' A' ' 62' ' ' PRO . 42.2 t-80 -152.66 110.07 3.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.48 ' CE ' ' HB3' ' A' ' 86' ' ' LEU . 52.8 mtmt -74.28 -56.94 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.28 40.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 24.2 p -174.89 171.42 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.91 155.11 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 86' ' ' LEU . 2.8 m-85 -101.39 125.48 48.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.441 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 36.7 tp -125.37 127.84 47.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.3 m -110.98 134.01 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.684 ' CD1' HD12 ' A' ' 56' ' ' LEU . 8.8 m-85 -98.95 150.82 21.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 29.0 t -68.11 -40.94 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.97 165.09 11.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -84.85 -53.79 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 107' ' ' SER . 7.2 pt-20 -65.02 -35.86 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 6.8 m -47.97 -48.28 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.12 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.8 mt -48.48 -39.07 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -62.42 -62.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.427 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -62.5 -17.59 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.525 ' NE2' ' HD3' ' A' ' 132' ' ' PRO . 11.0 mt-30 -72.85 -44.97 60.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 m -94.93 -16.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 118' ' ' GLN . . . -78.91 -38.85 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.431 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 45.9 mt -90.08 -57.95 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' LEU . 56.4 t-80 -35.45 128.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 39.55 46.91 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.1 tm0? -133.99 -53.7 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.595 ' NZ ' HD22 ' A' ' 73' ' ' LEU . 15.0 ttmt -108.68 145.69 34.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.453 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 33.5 m -121.31 126.17 48.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.537 HD13 HD11 ' A' ' 65' ' ' LEU . 85.5 mt -76.53 151.95 83.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 114.75 3.81 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.25 -25.15 8.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.4 mmm -100.78 121.14 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -58.63 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -97.87 155.68 36.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 119' ' ' LYS . 16.1 tt -88.2 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -108.81 126.53 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.622 HG13 ' CD1' ' A' ' 58' ' ' ILE . 26.2 t -124.3 116.95 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -148.09 142.73 16.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.525 ' HD3' ' NE2' ' A' ' 112' ' ' GLN . 53.1 Cg_endo -69.83 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . . . -59.77 -48.87 79.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -127.34 91.83 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.9 t -157.98 137.28 11.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -94.85 79.04 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.6 t -80.21 125.71 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -94.14 139.52 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.95 -91.83 0.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 41.38 -102.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.6 m -71.14 81.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 130.54 138.98 4.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 168.19 22.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.7 p -39.72 149.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -119.52 134.76 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 m -50.55 -48.85 57.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -57.07 -53.05 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.8 165.52 13.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.4 t -92.16 -51.85 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.7 m -155.78 121.59 5.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.44 -61.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.5 mtp -150.97 163.24 39.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -70.68 143.12 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 51' ' ' HIS . 28.9 t70 -83.43 158.35 22.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.428 ' HD1' ' C ' ' A' ' 51' ' ' HIS . 1.6 t-80 -35.43 -42.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.44 90.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.35 119.39 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.5 mt -111.45 135.0 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.554 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 30.4 ttpt -97.71 91.82 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.482 HD11 ' HB1' ' A' ' 108' ' ' ALA . 36.8 mt -73.9 123.22 23.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -94.82 119.43 33.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.665 HD12 HG22 ' A' ' 130' ' ' VAL . 6.0 mm -102.99 140.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.18 -179.04 16.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 60.92 54.78 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.71 ' CG2' HD12 ' A' ' 65' ' ' LEU . 38.3 mt -130.49 132.82 24.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.543 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 53.6 Cg_endo -69.79 162.56 41.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.56 ' HB3' ' CD2' ' A' ' 94' ' ' HIS . 4.9 ptp180 -92.93 44.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.543 ' ND2' ' HB2' ' A' ' 62' ' ' PRO . 8.2 p30 -134.04 11.25 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.71 HD12 ' CG2' ' A' ' 61' ' ' ILE . 83.5 mt -100.82 176.49 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -140.15 174.22 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -75.49 -39.46 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -71.94 -19.88 61.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.79 -22.06 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.7 mt -95.88 -33.14 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.1 tttt -52.12 -44.68 93.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.95 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.456 HD22 ' HE3' ' A' ' 119' ' ' LYS . 63.9 mt -38.78 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 77' ' ' PHE . 52.2 m-85 -57.12 -58.06 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 32.7 tt0 -36.17 -30.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 74' ' ' PHE . 8.1 tp10 -72.9 -45.81 56.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 74' ' ' PHE . 12.5 m-85 -76.49 -44.53 34.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.23 148.56 20.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -70.51 89.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.727 0.299 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 65.1 mt -42.75 137.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.527 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 45.9 t80 -104.88 -38.2 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -160.85 112.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 tp -105.76 137.65 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.0 m -143.82 122.78 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.7 95.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.599 HD21 ' CD2' ' A' ' 99' ' ' PHE . 49.0 mt -48.78 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -135.76 136.06 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.444 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.4 t0 -79.54 175.07 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.25 -3.74 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -105.03 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.7 t -129.2 -33.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -75.03 46.99 1.86 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' GLY . 7.4 mtt -33.46 -49.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 63' ' ' ARG . 39.7 t60 -135.0 74.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.7 mtmt -33.99 -44.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.56 45.22 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.7 p -172.76 172.78 4.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.78 148.11 18.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CD2' HD21 ' A' ' 86' ' ' LEU . 6.0 m-85 -100.08 129.39 46.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.429 HD11 HG12 ' A' ' 80' ' ' ILE . 15.2 tp -122.78 146.41 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.9 m -133.99 127.3 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.556 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 19.6 m-85 -98.7 138.31 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 23.7 m -52.29 -44.76 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -110.69 141.67 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -56.66 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 109' ' ' LEU . 24.9 tt0 -43.3 -52.89 5.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 t -39.48 -43.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -56.47 -42.76 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' GLU . 21.9 mt -57.18 -51.29 69.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 54.8 mttp -50.21 -63.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.55 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.55 -62.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.44 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 75.0 m -75.4 -1.82 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.73 ' HA ' HE22 ' A' ' 118' ' ' GLN . . . -106.0 -19.97 13.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 70.6 mt -114.81 -43.36 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -46.97 127.84 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 41.9 47.9 3.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.73 HE22 ' HA ' ' A' ' 114' ' ' ALA . 7.5 mt-30 -134.93 -42.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.456 ' HE3' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -119.52 146.53 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 127' ' ' PRO . 8.5 m -123.83 138.19 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.7 155.08 71.06 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.17 6.99 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.21 25.27 22.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.6 mmm -140.19 111.97 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -59.42 -31.04 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 28.3 ttm180 -100.19 139.54 20.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.7 Cg_endo -69.73 162.64 41.26 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 58' ' ' ILE . 16.2 tt -64.89 125.72 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -99.0 129.61 45.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.665 HG22 HD12 ' A' ' 58' ' ' ILE . 58.3 t -126.87 109.16 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -138.59 141.11 29.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 113.96 3.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.71 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -133.02 96.53 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.441 ' O ' ' CD ' ' A' ' 136' ' ' GLU . 70.7 p -118.2 107.03 13.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 135' ' ' SER . 10.3 mp0 -140.82 131.78 26.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.4 t -94.99 80.79 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -111.91 165.46 12.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -109.7 -169.56 20.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.54 98.28 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.2 t -53.66 124.4 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -59.41 -172.59 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -48.58 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.1 t 47.67 42.17 14.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 p -62.63 162.7 10.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t -121.06 168.13 11.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 t -153.15 166.83 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.71 91.35 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.1 t -61.68 -51.22 69.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 m -119.81 166.27 13.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.15 -62.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.4 mmt -63.61 143.25 57.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -65.07 150.64 47.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 51' ' ' HIS . 3.0 m-20 -60.11 158.54 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' ASP . 16.2 p-80 -34.61 -45.78 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -132.6 115.16 15.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.72 177.26 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 105' ' ' ARG . 50.6 mt -127.9 121.54 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -83.54 92.26 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 ' CD2' ' A' ' 102' ' ' TYR . 19.0 mt -74.82 116.4 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -88.39 126.16 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 130' ' ' VAL . 11.0 mm -110.67 134.98 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.67 172.75 22.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 71.1 45.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.683 ' CG2' HD12 ' A' ' 65' ' ' LEU . 87.6 mt -127.92 132.97 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.143 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.79 150.2 67.7 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 41.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -123.28 2.75 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.683 HD12 ' CG2' ' A' ' 61' ' ' ILE . 52.8 mt -100.6 179.59 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.79 173.52 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CG ' HG23 ' A' ' 85' ' ' VAL . 23.8 mt-10 -69.87 -36.61 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 57.1 tttt -73.28 -15.62 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.82 -19.78 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 28.3 mt -101.46 -31.45 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.636 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 45.1 tttp -59.45 -42.03 90.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 110.931 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.7 Cg_exo -48.02 -63.04 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -43.28 -72.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 76' ' ' GLU . 71.2 m-85 -53.12 -60.49 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 3.8 tp10 -40.2 -25.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.3 tt0 -72.11 -47.44 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' PHE . 32.2 m-85 -73.77 -44.41 56.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.93 157.33 25.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -79.76 91.03 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' A' ' 71' ' ' LYS . 80.6 mt -44.13 154.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.114 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 49' ' ' LYS . 25.7 t80 -110.77 -36.84 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -164.02 112.74 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 100' ' ' LEU . 30.8 tp -96.97 134.62 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.0 m -145.67 111.3 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.527 HG23 ' CG ' ' A' ' 67' ' ' GLU . 73.3 t -85.24 101.06 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 99' ' ' PHE . 59.4 mt -42.59 119.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -136.47 133.1 36.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.434 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.3 t70 -95.31 179.4 5.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 28.6 ttm180 -124.61 8.23 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.25 -75.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 92' ' ' GLY . 9.1 t -122.36 -41.44 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.434 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.29 41.74 2.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' GLY . 4.3 mtt -35.77 -36.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -125.33 -23.21 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' GLY . 28.0 mtmm 56.6 25.08 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.6 57.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.0 p -174.97 172.43 2.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.3 23.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.612 ' CE2' HD11 ' A' ' 86' ' ' LEU . 4.1 m-85 -105.62 135.29 47.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.489 HD12 HD13 ' A' ' 83' ' ' LEU . 13.8 tp -124.17 145.5 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.454 HG21 ' HD2' ' A' ' 81' ' ' TYR . 47.7 m -130.14 117.04 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.728 ' HB2' ' HB2' ' A' ' 108' ' ' ALA . 10.6 m-85 -95.14 127.0 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 19.2 m -45.92 -59.25 2.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -91.77 106.41 18.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 106' ' ' GLU . 2.3 ppt_? -40.95 -41.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.496 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 11.3 pt-20 -66.22 -54.7 22.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.5 p -46.76 -34.41 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.728 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . . . -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.16 -36.17 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.09 -67.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -51.91 -34.71 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -51.75 -59.09 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.4 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 2.4 t -77.4 -17.54 58.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -79.42 -25.31 42.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 74' ' ' PHE . 39.0 mt -106.91 -48.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.474 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 69.9 t60 -43.76 133.9 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' HIS . 46.5 mm-40 36.22 33.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' HIS . 1.6 mt-30 -125.78 -36.71 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.929 ' O ' HG22 ' A' ' 128' ' ' ILE . 8.3 ttmm -126.39 137.38 53.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.0 m -118.38 128.41 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 61' ' ' ILE . 47.3 mt -75.52 150.98 84.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.1 7.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.23 -28.27 7.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.411 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 67.6 mmm -102.78 126.55 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.5 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -91.08 154.13 44.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 172.97 11.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.929 HG22 ' O ' ' A' ' 119' ' ' LYS . 18.8 tt -80.56 134.07 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -99.78 131.55 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.784 HG22 HD12 ' A' ' 58' ' ' ILE . 58.9 t -138.96 112.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.474 ' HD3' ' CE1' ' A' ' 116' ' ' HIS . 20.5 mmmt -146.04 151.98 46.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 131.79 22.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.72 102.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -166.46 170.37 12.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 95.0 p -108.63 -46.12 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -85.77 171.34 11.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.9 m -84.42 109.24 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.71 -54.76 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -98.5 140.07 14.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.72 138.47 6.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.8 t -53.07 -57.41 10.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 70.48 -158.26 53.59 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 -44.83 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.24 . . . . 0.0 112.302 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 52.4 m 51.5 42.54 29.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.8 m -78.18 -49.64 13.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m -86.96 -55.6 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 p -97.02 153.88 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.04 99.75 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 m -48.44 -49.38 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 m -77.15 139.89 40.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.21 119.27 6.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -118.48 126.36 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.465 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 33.8 pttt -127.27 144.73 50.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.81 174.12 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.437 ' ND1' ' C ' ' A' ' 51' ' ' HIS . 1.5 t-80 -71.99 -44.08 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -82.6 97.75 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.15 167.21 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.3 mt -129.26 111.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE3' ' CG ' ' A' ' 99' ' ' PHE . 9.3 tttp -80.62 104.15 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.622 HD12 HD23 ' A' ' 100' ' ' LEU . 91.9 mt -78.04 156.19 30.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.2 119.83 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.748 HD12 HG22 ' A' ' 130' ' ' VAL . 8.8 mm -106.52 137.4 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.67 -175.61 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.708 ' O ' HD12 ' A' ' 121' ' ' LEU . 1.9 mp0 57.98 54.99 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.981 HG23 HD12 ' A' ' 65' ' ' LEU . 93.5 mt -126.07 124.56 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.492 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.6 Cg_endo -69.7 158.02 58.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.72 4.06 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.981 HD12 HG23 ' A' ' 61' ' ' ILE . 61.1 mt -101.5 171.31 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.23 158.26 44.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.572 ' CG ' HG23 ' A' ' 85' ' ' VAL . 11.2 mt-10 -58.68 -42.29 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 17.5 tptt -73.59 -21.54 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.94 -17.28 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.771 HD21 HD13 ' A' ' 65' ' ' LEU . 31.0 mt -101.03 -37.76 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -52.71 -44.18 94.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.9 Cg_exo -48.05 -63.34 0.32 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.646 2.23 . . . . 0.0 112.32 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.6 mt -40.31 -70.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.962 ' HB2' HD11 ' A' ' 80' ' ' ILE . 97.0 m-85 -49.79 -51.4 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' PHE . 12.4 tt0 -37.79 -35.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -70.76 -43.13 69.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 28.7 m-85 -72.01 -45.09 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.5 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.7 158.61 26.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -80.66 73.0 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.962 HD11 ' HB2' ' A' ' 74' ' ' PHE . 71.4 mt -41.38 152.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.465 ' CE2' ' HG2' ' A' ' 49' ' ' LYS . 22.0 t80 -114.88 -34.42 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -168.44 113.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 99' ' ' PHE . 34.8 tp -99.77 144.7 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.9 m -149.86 116.71 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 67' ' ' GLU . 84.0 t -89.16 114.88 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.753 HD11 ' CE2' ' A' ' 99' ' ' PHE . 84.9 mt -55.06 104.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -131.07 112.77 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.453 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -60.29 163.32 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -113.78 -1.02 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -105.28 -75.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -129.93 -28.22 2.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.453 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.89 41.28 2.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.5 mtt -59.94 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 95' ' ' LYS . 1.8 t-80 71.64 54.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 94' ' ' HIS . 9.8 mtmm -33.33 -64.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.39 36.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.4 p -156.17 174.85 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.11 155.92 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.753 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.4 m-85 -108.14 135.04 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.737 HD11 HG12 ' A' ' 80' ' ' ILE . 13.8 tp -122.8 139.98 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.9 m -126.62 121.24 31.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.5 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 2.0 m-85 -104.18 136.51 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.5 t -48.24 -60.99 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -93.25 168.18 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 105' ' ' ARG . 14.2 mtp-105 -84.83 -56.9 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 109' ' ' LEU . 16.6 tp10 -44.11 -55.27 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.5 p -40.75 -53.73 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.83 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 106' ' ' GLU . 34.1 mt -46.84 -43.48 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -54.73 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -55.07 -31.71 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.492 ' OE1' ' CD2' ' A' ' 56' ' ' LEU . 6.3 tt0 -54.8 -45.04 74.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.8 m -96.35 -19.42 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -79.38 -23.27 43.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.601 HD22 ' NZ ' ' A' ' 119' ' ' LYS . 62.6 mt -105.5 -45.2 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.449 ' NE2' ' OE2' ' A' ' 117' ' ' GLU . 84.4 t60 -51.85 135.04 30.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' NE2' ' A' ' 116' ' ' HIS . 59.6 mt-10 36.38 40.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -122.2 -44.14 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.601 ' NZ ' HD22 ' A' ' 115' ' ' LEU . 8.6 pttm -126.21 146.96 49.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 127' ' ' PRO . 14.9 m -117.78 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 60' ' ' GLN . 74.6 mt -74.53 154.59 87.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 123.39 10.06 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.46 27.8 31.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mmm -140.24 115.62 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -63.04 -28.89 70.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -100.09 134.98 20.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.406 ' HA ' HG23 ' A' ' 120' ' ' THR . 54.2 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 58' ' ' ILE . 15.5 tt -63.42 130.64 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -104.83 146.82 28.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.748 HG22 HD12 ' A' ' 58' ' ' ILE . 24.5 t -144.6 122.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.74 152.55 48.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 102.62 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.737 2.291 . . . . 0.0 112.345 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . -43.51 -52.37 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.15 134.35 36.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 136' ' ' GLU . 47.4 t -136.9 114.56 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 135' ' ' SER . 12.8 pt-20 34.45 39.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.8 t -84.47 83.98 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -173.97 155.6 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 130.02 158.3 9.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -110.96 152.29 17.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.6 m -108.0 133.29 52.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 141.15 67.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.58 34.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.32 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.4 t -121.58 176.82 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 t -152.22 139.59 19.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -134.87 -53.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.2 m -83.95 130.7 34.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 174.84 93.07 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.6 t -133.53 152.87 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -59.87 -44.51 94.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.35 52.89 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -138.33 145.13 40.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 48' ' ' MET . 8.2 ptpp? -55.41 161.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.71 177.09 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -39.81 -50.24 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -113.88 124.79 53.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.03 113.71 25.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.1 mt -99.59 137.36 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 133' ' ' ALA . 0.4 OUTLIER -101.97 123.63 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 102' ' ' TYR . 63.3 mt -93.48 121.62 35.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.411 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -87.77 129.58 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.857 HD12 HG22 ' A' ' 130' ' ' VAL . 20.3 mm -112.71 135.5 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.47 16.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 60.2 54.99 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.711 HG23 HD12 ' A' ' 65' ' ' LEU . 71.7 mt -132.16 126.83 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 151.36 68.84 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.309 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HA ' ' CG ' ' A' ' 94' ' ' HIS . 7.5 ptp85 -79.53 43.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 64' ' ' ASN . 3.2 t30 -126.01 2.83 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.711 HD12 HG23 ' A' ' 61' ' ' ILE . 62.4 mt -100.46 173.7 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.19 153.64 46.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.543 ' CG ' HG23 ' A' ' 85' ' ' VAL . 28.0 mt-10 -51.39 -42.2 61.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 38.2 tttp -64.27 -26.37 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.86 7.44 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.15 -37.19 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.3 ttpp -62.29 -43.29 84.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.0 Cg_exo -47.88 -53.12 7.06 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.3 mt -52.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 115' ' ' LEU . 80.5 m-85 -52.26 -55.31 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 80' ' ' ILE . 9.6 tt0 -38.1 -46.12 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.21 -39.52 79.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' PHE . 33.8 m-85 -76.54 -45.19 31.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.79 166.94 26.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -80.46 118.74 22.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.551 HD13 ' HG3' ' A' ' 71' ' ' LYS . 82.5 mt -92.19 136.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.431 ' CD1' ' HB2' ' A' ' 82' ' ' GLU . 22.3 t80 -101.76 -41.11 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.7 tt0 -160.32 121.24 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 100' ' ' LEU . 38.1 tp -103.65 144.26 31.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -144.67 118.89 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.543 HG23 ' CG ' ' A' ' 67' ' ' GLU . 90.8 t -92.31 97.97 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.599 HD11 ' CE2' ' A' ' 99' ' ' PHE . 78.5 mt -37.19 109.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -126.76 137.4 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.57 -27.35 61.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 89' ' ' ARG . 66.0 ttt-85 56.17 24.92 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -134.98 -73.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 t -135.04 -39.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.15 30.29 2.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' GLY . 8.2 ptt? -36.74 119.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 63' ' ' ARG . 7.5 t-80 70.75 54.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.8 mttt -32.73 -64.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.0 35.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.546 ' SG ' HD12 ' A' ' 86' ' ' LEU . 11.8 p -164.76 175.52 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.03 145.74 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CE2' HD11 ' A' ' 86' ' ' LEU . 7.3 m-85 -101.96 122.0 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 83' ' ' LEU . 31.7 tp -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.0 m -119.51 112.84 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 4.8 m-85 -96.52 130.08 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.83 -65.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -73.88 168.02 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -83.48 -56.34 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 109' ' ' LEU . 56.9 mt-10 -62.29 -44.79 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.4 p -39.55 -37.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -68.95 -43.43 75.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' GLU . 23.3 mt -55.04 -50.74 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 76.1 mttt -46.36 -67.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.95 67.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.441 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 30.5 tt0 -58.48 -63.81 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -73.6 -24.19 60.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.36 -32.68 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.583 HD13 ' CE1' ' A' ' 74' ' ' PHE . 26.4 mt -96.15 -46.89 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 117' ' ' GLU . 68.3 t60 -43.82 130.3 5.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 116' ' ' HIS . 16.5 mm-40 35.66 45.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -133.69 -42.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.43 ' NZ ' HD22 ' A' ' 115' ' ' LEU . 5.1 ttpm? -115.44 156.86 24.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.0 m -138.37 119.62 14.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 65' ' ' LEU . 84.9 mt -68.18 150.64 97.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 118.93 5.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.81 -27.35 7.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mmm -100.2 122.4 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -59.63 -37.0 77.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -92.46 156.06 41.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.531 0.682 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.234 . . . . 0.0 112.351 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.433 HD11 ' CG2' ' A' ' 58' ' ' ILE . 16.3 tt -97.78 140.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -104.1 133.98 48.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.857 HG22 HD12 ' A' ' 58' ' ' ILE . 50.1 t -138.12 111.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -144.05 153.14 56.45 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.441 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.78 127.42 14.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.493 ' HB2' ' HE1' ' A' ' 99' ' ' PHE . . . -63.29 90.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -118.22 76.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.0 t -118.15 -54.91 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -87.57 152.0 22.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.0 p -127.22 84.41 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 138' ' ' ARG . 0.0 OUTLIER -57.08 -56.69 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 62.1 -131.65 45.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -172.62 88.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.3 t -71.15 -60.71 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 78.93 92.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.98 29.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.1 t -109.12 89.09 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 146' ' ' GLY . 24.8 p -107.77 140.22 41.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 145' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 m -116.68 107.22 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 p -57.29 -14.73 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.91 105.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.0 p -172.63 158.23 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.385 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -154.51 168.65 25.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.01 -144.85 4.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -73.2 170.56 14.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -56.26 143.38 34.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.22 164.85 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -40.56 -41.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -118.43 113.51 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.36 128.1 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.714 HD12 ' HB2' ' A' ' 105' ' ' ARG . 84.7 mt -101.58 131.69 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 133' ' ' ALA . 5.9 pttm -98.88 116.6 31.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.532 HD12 ' CD2' ' A' ' 102' ' ' TYR . 26.9 mt -81.12 131.42 35.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -101.29 111.13 23.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.843 ' CD1' HG13 ' A' ' 130' ' ' VAL . 8.8 mm -100.75 140.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.57 -175.33 13.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 58.21 54.92 5.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.71 ' CG2' HD12 ' A' ' 65' ' ' LEU . 59.5 mt -132.03 127.2 20.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HD2' HD13 ' A' ' 121' ' ' LEU . 54.3 Cg_endo -69.78 159.64 52.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.43 ' HB3' ' ND1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -86.54 42.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -123.71 1.43 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.71 HD12 ' CG2' ' A' ' 61' ' ' ILE . 49.5 mt -100.97 173.18 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.08 158.82 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CG ' HG23 ' A' ' 85' ' ' VAL . 29.4 mt-10 -58.43 -34.33 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -75.1 -12.42 60.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -108.69 -8.91 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.49 HD21 HD13 ' A' ' 65' ' ' LEU . 31.1 mt -108.55 -36.22 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 41.6 tttt -58.33 -42.91 97.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.97 -63.06 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -42.32 -68.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 1.004 ' HB2' HD11 ' A' ' 80' ' ' ILE . 87.4 m-85 -49.8 -55.33 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -37.13 -33.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.19 -56.73 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.73 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.526 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.73 155.91 25.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.22 76.81 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 74' ' ' PHE . 70.0 mt -37.92 157.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.495 ' N ' HG22 ' A' ' 80' ' ' ILE . 5.2 t80 -121.08 -33.52 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -171.9 113.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.09 134.16 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.9 m -133.88 119.37 19.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.421 HG23 ' CG ' ' A' ' 67' ' ' GLU . 54.8 t -83.22 125.08 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 99' ' ' PHE . 64.5 mt -77.32 105.51 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.59 151.34 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.425 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.0 t0 -89.68 174.11 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -126.58 1.34 6.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -112.08 -71.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.5 t -127.14 -30.67 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.27 45.61 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 92' ' ' GLY . 20.5 ptm -33.49 -43.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.43 ' ND1' ' HB3' ' A' ' 63' ' ' ARG . 6.5 t-80 -146.42 106.43 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -68.94 -49.14 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.94 46.1 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.4 p -173.88 173.75 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.92 152.14 26.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 86' ' ' LEU . 9.8 m-85 -103.66 126.62 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.478 HD11 HG12 ' A' ' 80' ' ' ILE . 35.9 tp -113.16 149.81 33.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.1 m -126.26 107.83 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CD2' HD12 ' A' ' 56' ' ' LEU . 3.7 m-85 -92.59 123.88 36.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 63.1 m -38.75 -68.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.8 112.06 20.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.714 ' HB2' HD12 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -44.58 -42.88 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.461 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 37.8 tt0 -59.37 -50.46 73.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -43.57 -45.25 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.38 -40.23 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.5 mt -54.63 -32.54 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -66.2 -69.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.655 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -50.9 -32.02 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.465 ' NE2' ' HD3' ' A' ' 132' ' ' PRO . 15.2 mt-30 -46.81 -61.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.3 t -81.17 -19.96 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -75.8 -17.21 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.9 mt -113.8 -48.97 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -45.99 122.34 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 50.69 37.42 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -133.69 -39.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.96 ' O ' HG22 ' A' ' 128' ' ' ILE . 17.1 tptp -110.53 126.55 54.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.4 m -119.7 121.31 38.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 62' ' ' PRO . 24.8 mt -73.63 151.21 89.18 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 114.58 3.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.07 -15.0 16.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 mmm -110.98 111.18 22.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -58.24 -26.34 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 39.2 ttt85 -96.56 139.7 21.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.9 Cg_endo -69.82 156.09 64.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.96 HG22 ' O ' ' A' ' 119' ' ' LYS . 16.2 tt -65.91 144.1 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -112.63 137.57 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.843 HG13 ' CD1' ' A' ' 58' ' ' ILE . 22.0 t -134.85 117.06 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -144.27 141.01 17.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.465 ' HD3' ' NE2' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.77 120.62 7.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.467 ' HB3' ' HE2' ' A' ' 55' ' ' LYS . . . -60.22 -57.02 14.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -55.39 167.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 41.0 t -161.55 111.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.25 176.64 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 78.0 p -142.27 156.97 45.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.85 167.95 18.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.87 143.5 13.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -50.77 119.8 8.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.8 t -110.9 162.81 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -73.03 141.21 29.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 134.12 27.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 79.1 p -74.23 171.84 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 61.1 p -163.76 149.14 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -142.55 140.37 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.6 p 37.92 42.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -99.97 121.07 7.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 m -82.47 129.27 34.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.2 m -56.83 -54.11 50.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.49 -129.88 6.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.1 ptp -171.66 142.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -68.83 124.58 24.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -81.53 -55.74 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -107.06 160.29 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -44.7 119.58 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -72.78 137.96 46.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.401 HD11 ' HG3' ' A' ' 105' ' ' ARG . 64.3 mt -111.51 134.09 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -88.79 88.21 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 102' ' ' TYR . 51.4 mt -75.74 123.88 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.44 113.84 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.779 ' CG2' HD11 ' A' ' 128' ' ' ILE . 16.1 mm -97.95 133.23 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.49 -169.79 12.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.548 ' O ' HD12 ' A' ' 121' ' ' LEU . 79.2 mt-30 55.7 54.97 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.969 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.751 HG12 HD11 ' A' ' 121' ' ' LEU . 67.1 mt -133.02 130.66 21.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.3 Cg_endo -69.86 -172.39 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.535 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 47.4 ttp85 -111.95 45.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -133.9 10.09 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.73 HD12 HG23 ' A' ' 61' ' ' ILE . 89.9 mt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -140.2 154.38 46.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' CG ' HG23 ' A' ' 85' ' ' VAL . 80.5 mt-10 -54.55 -40.04 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -72.33 -19.0 61.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.441 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -91.36 -25.83 19.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD21 HD13 ' A' ' 65' ' ' LEU . 38.1 mt -91.89 -35.83 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 25.2 tttp -50.75 -44.86 85.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.907 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.99 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -38.28 -73.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 76' ' ' GLU . 52.7 m-85 -56.27 -58.2 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 74' ' ' PHE . 7.6 tt0 -35.75 -31.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' PHE . 27.2 tt0 -73.11 -50.45 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 10.0 m-85 -68.49 -45.4 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.0 160.93 27.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -80.66 88.65 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 81' ' ' TYR . 48.0 mt -41.63 153.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.417 ' N ' HG22 ' A' ' 80' ' ' ILE . 15.8 t80 -113.47 -34.14 5.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -174.89 112.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.1 tp -97.78 140.17 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.8 m -148.68 110.62 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.445 HG23 ' CG ' ' A' ' 67' ' ' GLU . 91.5 t -68.2 136.12 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.565 HD21 ' CD2' ' A' ' 99' ' ' PHE . 43.0 mt -89.94 98.29 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.72 143.19 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.443 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 3.1 t70 -87.17 175.53 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -126.93 0.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -109.88 -65.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -133.54 -31.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -80.62 36.43 2.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 76.3 mtm -52.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.535 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 8.4 t-80 71.23 53.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' HIS . 23.1 mtmt -32.92 -64.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.22 42.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.1 p -159.92 173.77 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.88 153.25 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 6.1 m-85 -99.92 132.02 45.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.92 144.47 48.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.404 ' CG2' ' HB1' ' A' ' 53' ' ' ALA . 87.8 m -127.37 113.82 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.547 ' CD2' HD12 ' A' ' 56' ' ' LEU . 10.3 m-85 -87.23 132.5 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.8 m -54.34 -40.82 68.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -110.63 158.81 18.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.401 ' HG3' HD11 ' A' ' 54' ' ' ILE . 25.6 ttp180 -79.82 -44.83 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.604 ' OE2' HD12 ' A' ' 109' ' ' LEU . 19.7 tp10 -61.92 -53.74 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.8 p -42.65 -37.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -60.45 -40.32 90.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.604 HD12 ' OE2' ' A' ' 106' ' ' GLU . 32.9 mt -55.66 -51.36 67.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -53.48 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -54.8 -35.95 64.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -56.74 -58.95 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -76.4 -21.05 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -77.77 -28.28 50.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.4 mt -104.06 -52.66 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' GLU . 72.7 t60 -42.6 127.67 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' HIS . 26.5 mt-10 37.15 45.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.2 -47.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.533 ' O ' HG22 ' A' ' 128' ' ' ILE . 39.7 tttp -114.15 153.42 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.432 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 20.2 m -125.03 144.6 50.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 61' ' ' ILE . 76.7 mt -87.85 154.67 52.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 104.43 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.226 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 107.46 21.61 7.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 60' ' ' GLN . 13.5 mtp -132.9 105.08 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -45.8 -38.55 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -100.15 155.11 36.79 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.421 ' O ' ' CD ' ' A' ' 60' ' ' GLN . 54.0 Cg_endo -69.77 -167.43 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.779 HD11 ' CG2' ' A' ' 58' ' ' ILE . 14.4 tt -99.86 134.21 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -98.74 140.12 33.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 58' ' ' ILE . 45.2 t -137.59 111.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.48 29.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.72 19.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.507 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . -53.62 -51.79 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.01 140.96 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 m -114.51 161.14 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -101.03 143.38 31.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 70.9 p -136.41 106.43 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -87.33 101.25 13.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -89.55 56.63 3.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -165.15 81.47 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -114.47 117.45 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 137.47 85.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 115.62 4.17 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 20.2 m -120.32 95.18 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 p -88.88 173.46 8.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.7 t -112.27 162.85 15.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 99.6 p -117.07 158.32 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.17 92.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.2 p -83.03 50.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.3 m -46.98 -42.07 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.01 -162.15 32.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 48.0 mtm -44.18 122.01 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 8.2 mtmm -85.31 50.86 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -133.61 29.17 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -81.43 95.86 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 63.95 32.69 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 176.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.472 ' CD1' ' HG2' ' A' ' 105' ' ' ARG . 24.2 mt -141.99 128.29 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' ALA . 18.2 mtmt -78.17 99.62 6.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' A' ' 108' ' ' ALA . 19.0 mt -83.28 111.71 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 2.4 t80 -90.94 122.11 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.903 ' CD1' HG13 ' A' ' 130' ' ' VAL . 7.3 mm -108.07 139.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.61 177.93 16.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 61.16 54.44 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.83 HG23 HD12 ' A' ' 65' ' ' LEU . 66.8 mt -123.92 122.6 26.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 154.27 67.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.358 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.587 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 11.6 ptp180 -80.95 41.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -129.46 7.81 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.83 HD12 HG23 ' A' ' 61' ' ' ILE . 70.9 mt -100.66 172.26 7.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.67 158.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HG3' HG23 ' A' ' 85' ' ' VAL . 31.3 mp0 -60.54 -42.43 96.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.21 -14.23 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.92 -16.0 22.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 65' ' ' LEU . 31.4 mt -106.52 -24.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -58.52 -43.9 98.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.98 -63.55 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 31.2 mt -42.1 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.711 ' HB2' HD11 ' A' ' 80' ' ' ILE . 72.6 m-85 -50.92 -49.21 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 31.2 tt0 -51.99 -21.83 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -78.29 -41.28 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -78.69 -44.38 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.9 161.23 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -80.36 92.95 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 74' ' ' PHE . 58.9 mt -55.7 141.79 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 22.4 t80 -103.05 -37.6 7.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -167.57 114.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -100.58 141.93 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 66.9 m -144.58 118.62 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' A' ' 67' ' ' GLU . 47.3 t -87.76 114.59 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 99' ' ' PHE . 54.8 mt -65.29 85.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -137.73 104.98 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.423 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 11.9 t0 -61.74 174.27 0.84 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.63 6.44 6.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -114.53 -61.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 92' ' ' GLY . 9.7 t -133.17 -41.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.423 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.11 42.06 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.2 tpt -59.5 109.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 2.5 t60 55.18 54.96 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.2 mtpt -34.18 -49.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.02 46.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 p -172.78 177.97 2.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.23 156.26 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 86' ' ' LEU . 2.8 m-85 -112.41 128.62 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 102' ' ' TYR . 15.3 tp -120.37 146.64 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.2 m -130.53 121.47 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.564 ' CE2' HD21 ' A' ' 100' ' ' LEU . 4.1 m-85 -105.14 132.33 51.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.2 t -45.55 -56.29 5.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -86.61 165.43 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 54' ' ' ILE . 5.0 tmm_? -85.79 -63.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 107' ' ' SER . 47.1 mm-40 -52.85 -47.1 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 106' ' ' GLU . 47.9 t -34.33 -52.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -49.43 -48.63 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' GLU . 36.0 mt -47.07 -43.16 19.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -55.89 -62.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.14 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.46 ' NE2' ' HD3' ' A' ' 132' ' ' PRO . 36.6 mt-30 -70.18 -71.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -59.94 -13.19 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -89.31 -55.36 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.24 -46.7 32.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -42.02 129.23 3.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 43.7 49.98 6.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -133.48 -45.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.481 ' O ' HG22 ' A' ' 128' ' ' ILE . 25.8 ttpp -114.8 159.31 20.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.8 m -134.23 108.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.413 HD23 ' NZ ' ' A' ' 119' ' ' LYS . 47.8 mt -57.2 148.46 52.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.341 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.86 -17.67 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.4 mmm -105.46 120.94 42.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.33 -32.21 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -99.68 158.62 31.8 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -169.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 119' ' ' LYS . 7.6 tt -94.51 133.77 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -105.42 124.42 49.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.903 HG13 ' CD1' ' A' ' 58' ' ' ILE . 16.7 t -125.3 119.73 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -145.95 154.38 50.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.46 ' HD3' ' NE2' ' A' ' 112' ' ' GLN . 53.4 Cg_endo -69.76 157.67 59.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . -97.48 -173.81 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.7 t70 58.99 40.5 22.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.6 m -66.16 -57.63 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 55.2 46.89 22.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 85.2 p -72.73 133.94 44.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -156.58 118.32 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 136.47 -104.29 0.47 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 77.89 69.1 1.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.6 p -169.67 163.05 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 138.46 83.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -2.91 11.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 35.2 t -95.37 41.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.8 m -127.52 126.81 42.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.2 p -52.99 174.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.6 m -122.13 -61.08 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.32 149.51 12.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 t -108.38 161.09 15.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 p -121.28 147.76 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.31 103.4 0.29 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.8 ttt -144.26 138.24 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . 1.2 tmtm? -81.62 116.78 21.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.81 -43.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -80.87 176.33 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -54.46 98.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -66.5 121.64 15.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.7 mt -86.18 137.25 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -93.98 93.23 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.484 HD12 ' CD2' ' A' ' 102' ' ' TYR . 28.4 mt -73.57 123.47 24.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -95.5 115.44 27.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.834 ' CD1' HG13 ' A' ' 130' ' ' VAL . 5.3 mm -105.72 128.43 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.517 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . -111.38 -145.28 10.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 3.6 pp0? 34.83 38.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.052 HG23 HD12 ' A' ' 65' ' ' LEU . 16.2 mt -114.59 116.95 43.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 168.03 22.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 31.1 ptt180 -87.78 42.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.84 10.49 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.052 HD12 HG23 ' A' ' 61' ' ' ILE . 97.4 mt -100.21 178.02 4.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -139.92 166.57 24.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' HD23 ' A' ' 83' ' ' LEU . 14.3 tt0 -70.78 -30.89 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' CD ' ' A' ' 72' ' ' PRO . 26.4 mmtm -89.02 -15.82 33.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.24 -12.83 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD21 HD13 ' A' ' 65' ' ' LEU . 22.4 mt -103.42 -38.4 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 24.3 ttmt -52.35 -44.76 94.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -48.02 -58.8 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 mt -45.54 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 1.006 ' HB2' HD11 ' A' ' 80' ' ' ILE . 74.7 m-85 -49.33 -50.06 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.806 ' HG2' HD12 ' A' ' 80' ' ' ILE . 19.0 mm-40 -45.47 -21.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -74.07 -38.72 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 114' ' ' ALA . 39.0 m-85 -86.85 -43.72 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.52 143.95 14.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 82.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.006 HD11 ' HB2' ' A' ' 74' ' ' PHE . 81.3 mt -41.23 153.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 49' ' ' LYS . 29.2 t80 -115.92 -36.17 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.66 133.46 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.442 HD23 ' HG2' ' A' ' 67' ' ' GLU . 57.3 tp -126.34 145.77 50.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.0 m -149.66 108.76 3.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 87' ' ' LYS . 25.1 t -79.37 100.35 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' A' ' 99' ' ' PHE . 53.4 mt -41.42 91.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' VAL . 6.3 ptmm? -129.34 116.68 19.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.98 177.19 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -124.64 6.61 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -114.91 -73.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.8 t -118.37 -40.02 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -78.85 41.21 2.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -35.43 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.49 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 58.6 t-80 -159.04 108.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -81.75 157.92 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.58 45.17 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.0 p -175.07 175.41 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.09 169.01 25.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.453 ' CD2' HD21 ' A' ' 86' ' ' LEU . 8.6 m-85 -116.01 126.48 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.648 HD12 ' H ' ' A' ' 101' ' ' THR . 33.4 tp -118.49 150.8 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.648 ' H ' HD12 ' A' ' 100' ' ' LEU . 31.4 m -127.81 128.78 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.484 ' CD2' HD12 ' A' ' 56' ' ' LEU . 10.8 m-85 -105.71 142.55 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.96 -47.39 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -118.34 155.73 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -68.6 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -39.35 -59.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.2 m -39.63 -47.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -52.33 -42.11 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.2 -42.52 77.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.63 -60.89 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.423 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -56.05 -35.51 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 21.9 mt-30 -55.21 -54.96 36.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.0 t -78.18 -23.15 47.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.76 -20.24 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.499 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 44.3 mt -113.53 -52.06 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 67.8 t60 -46.95 115.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 53.07 45.2 29.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -126.51 -39.39 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 128' ' ' ILE . 5.6 ptpt -127.31 179.87 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.2 m -140.3 111.56 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.03 149.39 86.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 119.61 6.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 108.32 -8.09 35.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mmm -115.15 121.39 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -61.21 -34.23 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -93.32 162.16 28.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -167.22 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.51 HG21 ' HG2' ' A' ' 119' ' ' LYS . 1.4 tt -91.31 150.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.442 ' N ' HG13 ' A' ' 128' ' ' ILE . 1.4 mp0 -129.41 120.65 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.834 HG13 ' CD1' ' A' ' 58' ' ' ILE . 59.6 t -128.16 127.33 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -151.76 142.29 15.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 116.81 4.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -41.68 97.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.08 168.69 19.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.0 t -97.63 83.64 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.26 -31.24 67.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.3 t -107.02 84.41 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.12 134.97 53.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.04 140.45 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 96.65 -177.66 33.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.6 p -167.4 125.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -146.4 84.8 0.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.46 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.1 p -142.26 147.38 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.9 t -125.03 171.53 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.8 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.927 0.394 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 14.5 ttmm -86.42 94.2 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD11 ' HB1' ' A' ' 108' ' ' ALA . 26.6 mt -74.46 121.37 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -94.69 114.3 26.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.665 HG21 HD11 ' A' ' 128' ' ' ILE . 6.1 mm -101.72 137.17 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.08 175.53 20.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG3' ' HE3' ' A' ' 124' ' ' MET . 13.9 tp60 72.22 42.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.699 ' CG2' HD12 ' A' ' 65' ' ' LEU . 53.3 mt -125.65 134.29 25.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.73 154.98 67.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -86.73 41.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.96 6.77 6.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.699 HD12 ' CG2' ' A' ' 61' ' ' ILE . 78.4 mt -100.14 178.9 4.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -140.13 154.89 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.631 ' CG ' HG23 ' A' ' 85' ' ' VAL . 27.0 mt-10 -58.73 -38.15 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 34.2 mtmm -73.05 -10.83 60.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.1 -20.2 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 29.9 mt -100.66 -37.76 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.623 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -55.41 -43.43 99.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.889 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.99 -63.16 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.4 mt -43.63 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.822 ' HB2' HD11 ' A' ' 80' ' ' ILE . 78.4 m-85 -49.62 -42.53 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -50.9 -37.74 45.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -64.27 -25.65 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -91.87 -44.61 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.2 160.24 26.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -80.49 74.32 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.822 HD11 ' HB2' ' A' ' 74' ' ' PHE . 67.5 mt -43.57 139.56 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -102.69 -38.67 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -157.15 134.97 10.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 99' ' ' PHE . 27.7 tp -126.06 135.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 m -141.7 127.5 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' CG ' ' A' ' 67' ' ' GLU . 59.5 t -97.39 109.2 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.589 HD11 ' CE2' ' A' ' 99' ' ' PHE . 46.2 mt -49.52 103.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -136.13 105.13 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.422 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.3 t70 -63.55 168.96 4.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -117.77 -0.58 11.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -105.89 -71.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.2 t -127.33 -32.07 2.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.74 39.38 2.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.434 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -33.86 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.848 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' GLY . 49.4 t-80 -151.27 110.54 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.6 mttp -83.34 35.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.23 44.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' HD12 ' A' ' 86' ' ' LEU . 27.2 p -161.66 172.94 15.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.15 152.69 26.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.8 m-85 -103.7 135.26 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.402 HD13 HD13 ' A' ' 83' ' ' LEU . 24.3 tp -126.79 140.96 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.7 m -126.21 114.88 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -91.52 135.43 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 p -55.92 -51.18 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -97.29 132.35 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -58.57 -51.28 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -54.43 -54.93 34.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.0 t -38.97 -58.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -39.49 -50.08 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.3 mt -49.6 -46.79 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -55.8 -65.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.86 -34.81 42.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -59.27 -63.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -68.88 -22.84 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.29 -34.91 55.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 37.5 mt -95.37 -54.84 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' GLU . 60.2 t60 -34.88 137.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' HIS . 11.6 mm-40 34.63 37.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -125.71 -41.3 2.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 128' ' ' ILE . 20.3 mttp -114.04 142.11 46.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.6 m -127.51 109.84 12.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.93 150.41 77.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.589 0.709 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.381 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.14 -21.74 12.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.404 ' HE3' ' HG3' ' A' ' 60' ' ' GLN . 66.1 mmm -102.63 114.52 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -54.86 -34.22 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -98.2 154.21 37.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 -178.44 2.32 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.669 HG22 ' O ' ' A' ' 119' ' ' LYS . 12.7 tt -85.94 129.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.603 HG22 HD12 ' A' ' 58' ' ' ILE . 58.8 t -131.87 118.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.77 142.15 15.25 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.45 45.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.887 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.16 98.56 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.4 mt -76.19 133.41 40.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -104.73 121.34 43.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.783 HD12 HG22 ' A' ' 130' ' ' VAL . 12.0 mm -106.63 134.65 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.35 -178.27 15.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 55.85 53.28 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.616 HG23 HD12 ' A' ' 65' ' ' LEU . 18.6 mt -124.22 128.39 25.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.452 ' HD3' ' CG ' ' A' ' 124' ' ' MET . 53.8 Cg_endo -69.76 162.82 40.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 15.8 ttm180 -88.63 42.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -127.16 6.35 6.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 70' ' ' LEU . 51.5 mt -100.41 166.0 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -139.89 153.72 47.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' CG ' HG23 ' A' ' 85' ' ' VAL . 25.4 mt-10 -52.23 -37.36 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -79.18 -15.65 57.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.57 -1.57 32.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 65' ' ' LEU . 29.8 mt -118.09 -25.05 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.9 ttmp? -62.41 -43.05 83.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.96 -62.58 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -43.76 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' PHE . 65.6 m-85 -52.5 -60.64 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HB2' HD12 ' A' ' 80' ' ' ILE . 8.0 tp10 -39.19 -43.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -61.38 -38.08 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 16.8 m-85 -77.5 -44.48 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.21 164.32 26.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -80.36 82.13 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 81' ' ' TYR . 97.4 mt -40.2 162.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.592 ' N ' HG22 ' A' ' 80' ' ' ILE . 37.6 t80 -131.95 -35.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -166.73 114.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.5 tp -101.98 135.97 42.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -139.39 122.17 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' A' ' 67' ' ' GLU . 98.9 t -96.44 97.42 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.443 ' HB3' ' CD ' ' A' ' 95' ' ' LYS . 48.3 mt -39.03 113.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -139.98 111.79 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.03 179.57 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -127.22 9.05 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.35 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -121.2 -36.18 3.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.19 41.34 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' GLY . 3.2 ttm -33.79 -60.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 62.5 t-80 -124.47 82.86 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' CD ' ' HB3' ' A' ' 86' ' ' LEU . 60.1 mttt -49.5 151.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.12 48.7 3.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p -174.2 170.18 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.01 156.72 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.0 128.12 53.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.452 HD21 ' CE2' ' A' ' 102' ' ' TYR . 13.1 tp -121.5 134.39 55.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -119.38 110.56 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 6.2 m-85 -86.21 131.97 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.1 t -46.69 -55.55 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -98.37 163.31 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -83.67 -57.52 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -44.94 -56.88 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -46.24 -53.71 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -43.79 -37.44 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.24 -53.52 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.56 -50.94 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.77 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.22 -56.34 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.7 m -74.72 -8.26 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.19 -23.9 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.407 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -105.94 -48.09 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -47.51 117.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 45.6 47.09 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -130.59 -43.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.498 ' O ' HG22 ' A' ' 128' ' ' ILE . 19.2 ttmt -123.98 142.22 51.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.6 m -111.06 119.91 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.71 148.57 98.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.9 -17.15 13.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.452 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 70.9 mmm -110.16 125.23 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 125' ' ' ASN . 7.9 t-20 -60.92 -35.91 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -97.54 158.33 33.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -177.51 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.521 HD11 ' CG2' ' A' ' 58' ' ' ILE . 20.4 tt -90.76 131.66 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -102.74 125.15 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.783 HG22 HD12 ' A' ' 58' ' ' ILE . 58.0 t -126.01 115.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -143.21 142.22 21.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' ALA . 53.4 Cg_endo -69.76 111.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.3 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.911 0.386 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 11.4 ttmm -93.75 85.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.728 HD11 ' HB1' ' A' ' 108' ' ' ALA . 46.5 mt -73.55 122.61 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.42 123.18 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.798 HD12 HG22 ' A' ' 130' ' ' VAL . 17.3 mm -108.82 134.37 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.424 ' C ' ' OE1' ' A' ' 60' ' ' GLN . . . -126.16 -174.5 13.88 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 59' ' ' GLY . 24.0 mp0 54.65 53.96 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.571 HG23 HD12 ' A' ' 65' ' ' LEU . 80.7 mt -134.79 127.33 18.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 151.74 69.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 40.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -119.85 0.99 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.571 HD12 HG23 ' A' ' 61' ' ' ILE . 37.5 mt -100.21 172.59 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.07 159.31 42.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.599 ' HG2' HG23 ' A' ' 85' ' ' VAL . 97.4 mt-10 -58.05 -33.29 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -71.7 -14.24 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.17 -15.93 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.6 mt -98.86 -40.48 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 31.9 tttp -56.28 -43.24 99.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.4 Cg_exo -47.97 -63.35 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.4 HD13 ' NZ ' ' A' ' 119' ' ' LYS . 46.7 mt -42.89 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.6 ' HB2' HD11 ' A' ' 80' ' ' ILE . 90.5 m-85 -49.01 -44.54 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HB2' HD12 ' A' ' 80' ' ' ILE . 51.5 tt0 -52.35 -32.78 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -67.88 -30.83 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -87.22 -44.18 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.96 160.4 26.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 4.1 mptt -80.17 81.23 6.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 74' ' ' PHE . 50.9 mt -44.42 142.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 81' ' ' TYR . 5.5 t80 -103.66 -34.27 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -170.74 114.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.4 tp -97.4 145.21 26.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -149.7 116.15 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.599 HG23 ' HG2' ' A' ' 67' ' ' GLU . 37.7 t -96.8 104.11 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 99' ' ' PHE . 25.7 mt -45.05 101.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -133.37 107.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.436 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.2 t70 -63.73 177.98 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -128.58 -2.14 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -106.66 -64.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -134.36 -33.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.03 39.89 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 43.3 mmm -35.23 -39.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -149.2 119.03 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' GLY . 17.7 mtpp -91.27 36.5 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 36.41 47.88 1.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 p -170.44 176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.529 ' HB2' HG13 ' A' ' 85' ' ' VAL . . . -162.93 151.28 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.9 m-85 -102.7 124.48 48.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.525 HD22 ' CD1' ' A' ' 74' ' ' PHE . 20.1 tp -109.13 134.87 51.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.7 m -122.18 115.64 22.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 2.6 m-85 -96.21 160.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.4 p -82.42 -46.66 13.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -109.93 124.37 51.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -48.87 -57.48 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -42.05 -49.42 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.9 m -54.07 -46.28 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.728 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -53.27 -47.3 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.53 -63.47 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -40.04 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.66 -28.9 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.23 -59.86 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -78.33 -25.89 46.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.35 -14.39 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.406 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 32.9 mt -115.84 -44.1 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -45.48 121.62 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 42.9 34.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.49 -42.79 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 120' ' ' THR . 26.9 ttmt -111.85 149.86 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.439 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 28.1 m -130.18 114.91 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.14 151.2 97.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.96 -23.29 10.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.8 mmm -103.36 121.46 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.37 -35.84 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.32 153.22 39.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -176.57 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.594 HD11 ' CG2' ' A' ' 58' ' ' ILE . 18.4 tt -92.55 140.37 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -108.68 131.93 54.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.798 HG22 HD12 ' A' ' 58' ' ' ILE . 36.2 t -131.87 113.14 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.68 142.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 114.68 3.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.892 0.377 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 36.6 ttpt -72.38 90.42 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 108' ' ' ALA . 43.0 mt -73.76 125.36 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.97 131.48 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.54 HD12 HG22 ' A' ' 130' ' ' VAL . 7.3 mm -115.38 137.75 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.77 179.99 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 59.43 54.19 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.766 ' CG2' HD12 ' A' ' 65' ' ' LEU . 65.4 mt -126.95 122.95 23.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.42 66.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 26.0 ttm180 -79.92 43.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.78 1.36 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.766 HD12 ' CG2' ' A' ' 61' ' ' ILE . 72.3 mt -100.64 167.85 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.08 151.53 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.21 -38.04 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 7.2 mtmp? -71.3 -24.4 62.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -93.48 -19.39 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.5 mt -93.61 -38.82 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.2 tttt -54.6 -43.63 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.554 0.692 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.2 Cg_exo -48.02 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.297 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.6 mt -42.98 -71.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.967 ' HB2' HD11 ' A' ' 80' ' ' ILE . 72.6 m-85 -49.58 -59.9 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.634 ' HG2' HD12 ' A' ' 80' ' ' ILE . 26.9 mm-40 -36.0 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' PHE . 4.5 tp10 -71.51 -51.14 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 44.0 m-85 -71.63 -43.95 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.75 156.32 25.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' ILE . 6.2 ttpt -80.21 78.32 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.967 HD11 ' HB2' ' A' ' 74' ' ' PHE . 76.1 mt -36.19 146.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -108.2 -35.82 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -167.84 112.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.9 tp -99.64 137.83 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.7 m -145.6 119.7 9.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.11 132.04 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 99' ' ' PHE . 69.1 mt -84.64 101.63 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.07 142.38 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.439 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 5.4 t0 -89.15 179.01 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -131.24 0.69 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -110.38 -67.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.2 t -129.17 -36.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -79.47 40.4 2.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.5 mtm -53.97 101.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.525 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 16.0 t-80 63.95 54.97 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -31.09 -64.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.05 36.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.438 ' SG ' ' CD1' ' A' ' 86' ' ' LEU . 26.5 p -151.62 175.15 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.45 156.97 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.53 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 4.7 m-85 -107.49 134.24 50.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 tp -127.09 120.85 29.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.6 m -105.33 111.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.543 ' HD2' HD12 ' A' ' 56' ' ' LEU . 7.2 m-85 -89.94 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 24.5 p -60.54 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -101.01 151.45 21.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -77.41 -55.18 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -50.21 -48.67 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.0 m -52.62 -51.85 58.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -47.39 -45.86 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.2 mt -52.63 -60.36 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 37.5 mttm -38.75 -62.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.29 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.86 -60.02 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -76.34 -25.41 54.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.74 -23.41 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -106.29 -44.57 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -47.39 124.52 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 43.84 33.31 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -121.38 -47.07 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -104.45 151.86 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.0 m -131.39 92.79 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.474 HD13 HD11 ' A' ' 65' ' ' LEU . 75.6 mt -41.62 150.8 0.33 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.59 27.91 8.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.5 mmm -140.01 112.61 7.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -52.37 -38.78 59.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -100.15 155.54 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.0 tt -97.64 130.19 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.91 138.51 33.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.54 HG22 HD12 ' A' ' 58' ' ' ILE . 74.5 t -143.14 124.63 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -156.28 152.95 24.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ALA . 54.0 Cg_endo -69.76 104.27 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.886 0.374 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HD2' ' CD1' ' A' ' 99' ' ' PHE . 7.9 ttpm? -88.76 99.81 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 56' ' ' LEU . 21.1 mt -73.74 119.42 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -91.02 125.01 35.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.716 HD12 HG22 ' A' ' 130' ' ' VAL . 14.3 mm -108.71 137.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.57 176.73 18.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 62.01 52.11 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.644 HG23 HD12 ' A' ' 65' ' ' LEU . 82.8 mt -127.26 126.17 24.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 154.34 67.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.36 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.44 ' HB3' ' CG ' ' A' ' 94' ' ' HIS . 6.0 ptp180 -81.27 41.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -122.59 2.41 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.644 HD12 HG23 ' A' ' 61' ' ' ILE . 69.9 mt -100.37 170.27 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -140.12 151.82 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' CG ' HG23 ' A' ' 85' ' ' VAL . 37.2 mt-10 -53.65 -34.06 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 42.3 mttp -71.05 -20.38 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 1.5 m-20 -102.79 -17.86 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.437 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.2 mt -93.95 -42.68 8.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 62.3 tttt -55.2 -43.37 99.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.96 -63.01 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.5 mt -41.86 -72.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.961 ' HB2' HD11 ' A' ' 80' ' ' ILE . 74.3 m-85 -49.13 -52.26 27.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.929 ' HG2' HD12 ' A' ' 80' ' ' ILE . 15.8 mm-40 -39.18 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.8 mt-10 -70.99 -49.83 40.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -71.81 -43.69 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.45 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.36 153.79 23.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -80.22 79.2 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.961 HD11 ' HB2' ' A' ' 74' ' ' PHE . 53.7 mt -39.8 149.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.12 -35.74 5.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -162.7 113.07 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.89 137.72 38.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 m -145.14 121.73 11.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.506 HG23 ' CG ' ' A' ' 67' ' ' GLU . 40.7 t -96.12 109.13 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 99' ' ' PHE . 35.6 mt -53.41 104.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -139.91 128.03 22.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.419 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 2.2 t70 -73.17 -178.96 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -133.37 2.59 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.21 -63.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -131.91 -31.65 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.98 40.72 2.33 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.44 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 15.3 ptt? -34.45 -43.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 63' ' ' ARG . 49.0 t-80 -148.69 107.12 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -67.98 -57.82 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 135.33 39.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.5 p -168.83 173.63 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.58 153.07 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 86' ' ' LEU . 3.4 m-85 -104.18 126.25 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.635 HD11 HG12 ' A' ' 80' ' ' ILE . 23.4 tp -114.5 148.46 37.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.1 m -133.26 107.34 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.45 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 3.5 m-85 -90.87 127.98 36.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 p -49.8 -46.95 51.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -102.11 161.22 13.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -85.34 -56.53 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.91 -47.83 52.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.7 p -52.17 -34.92 47.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.36 -49.09 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 6.2 mtpm? -52.59 -56.39 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.67 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 56' ' ' LEU . 25.8 mt-30 -60.95 -58.94 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 t -76.62 -21.9 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -78.23 -21.2 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.3 mt -109.52 -49.75 3.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -45.64 126.36 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 39.21 38.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.31 -44.78 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 120' ' ' THR . 11.4 ttmt -119.65 148.02 43.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.464 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 26.9 m -125.62 110.51 13.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.458 HD13 HD11 ' A' ' 65' ' ' LEU . 89.6 mt -61.04 149.89 80.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.9 6.78 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.1 -24.56 9.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.4 mmm -102.8 118.21 36.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -57.16 -32.63 66.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.71 154.79 37.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -178.9 2.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.26 . . . . 0.0 112.318 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 58' ' ' ILE . 19.8 tt -91.66 136.46 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -101.13 140.94 34.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.716 HG22 HD12 ' A' ' 58' ' ' ILE . 44.3 t -142.52 119.77 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -151.36 152.94 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.555 0.693 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.76 5.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.889 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.941 0.4 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 17.4 ttmm -90.62 88.84 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.736 HD11 ' HB1' ' A' ' 108' ' ' ALA . 66.2 mt -73.4 122.16 21.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -94.41 134.12 37.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.785 HD12 HG22 ' A' ' 130' ' ' VAL . 9.6 mm -118.12 125.07 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.31 -176.88 19.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG3' ' HE2' ' A' ' 124' ' ' MET . 5.1 tp60 54.71 52.6 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.879 HG23 HD12 ' A' ' 65' ' ' LEU . 90.3 mt -121.17 118.66 30.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.21 63.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.502 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 42.8 ttp85 -80.01 41.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -126.37 4.59 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.879 HD12 HG23 ' A' ' 61' ' ' ILE . 84.7 mt -100.68 179.84 4.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -140.77 165.79 26.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HG2' HD23 ' A' ' 83' ' ' LEU . 3.3 tt0 -70.7 -37.97 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 46.8 mttt -80.9 -14.08 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -92.29 -20.35 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.673 HD21 HD13 ' A' ' 65' ' ' LEU . 30.0 mt -98.26 -32.05 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.627 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 71.9 tttt -58.66 -42.71 95.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.1 Cg_exo -48.01 -63.36 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.6 mt -43.91 -72.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.611 ' HB2' HD11 ' A' ' 80' ' ' ILE . 77.5 m-85 -49.55 -38.73 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.536 ' HB2' HD12 ' A' ' 80' ' ' ILE . 81.6 tt0 -59.61 -33.69 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -66.9 -26.26 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -91.77 -43.21 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.3 161.6 26.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.92 75.72 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 74' ' ' PHE . 71.3 mt -37.98 149.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.157 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -106.69 -45.61 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -165.95 112.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.617 HD23 ' HG2' ' A' ' 67' ' ' GLU . 42.9 tp -95.64 151.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.0 m -156.34 116.8 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.44 128.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 99' ' ' PHE . 76.8 mt -76.8 98.92 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -138.39 110.08 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -49.71 179.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -129.82 -0.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -111.39 -70.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -129.67 -28.0 2.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.428 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -81.22 34.29 2.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.1 mmm -53.13 101.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.502 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 11.4 t-80 74.21 55.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' HIS . 15.6 mttm -31.74 -60.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.52 36.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 86' ' ' LEU . 17.2 p -163.56 174.86 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.47 144.6 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 6.9 m-85 -100.32 132.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.509 HD13 HD13 ' A' ' 83' ' ' LEU . 17.5 tp -124.75 152.72 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.8 m -132.89 125.23 29.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.48 ' CD2' HD12 ' A' ' 56' ' ' LEU . 16.8 m-85 -99.61 141.69 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.7 t -44.59 -53.3 7.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -113.07 155.97 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -65.54 -61.59 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -43.79 -56.55 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.0 m -40.29 -59.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.736 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -40.15 -50.77 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -47.08 -55.18 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -41.91 -70.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.45 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.407 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 4.3 tt0 -60.1 -55.4 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.1 m -77.21 -28.96 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.82 -14.13 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.595 HD13 ' CE1' ' A' ' 74' ' ' PHE . 29.1 mt -112.85 -48.05 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -44.63 132.29 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 40.0 36.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.82 -41.42 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -116.5 149.04 40.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.2 m -121.52 100.25 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.452 HD22 HD11 ' A' ' 65' ' ' LEU . 56.6 mt -46.99 152.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.24 11.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.55 30.05 22.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.43 ' HE2' ' HG3' ' A' ' 60' ' ' GLN . 70.3 mmm -140.01 115.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -55.9 -38.3 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -100.14 159.07 30.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.548 0.689 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -174.53 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.525 HD11 HG21 ' A' ' 58' ' ' ILE . 18.7 tt -93.5 134.17 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -98.26 129.63 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.785 HG22 HD12 ' A' ' 58' ' ' ILE . 57.7 t -135.99 112.98 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.416 ' HD2' ' O ' ' A' ' 130' ' ' VAL . 22.4 mmmt -146.17 152.85 47.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.407 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.7 Cg_endo -69.79 125.92 12.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.919 0.39 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -73.01 98.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.653 HD12 ' CD1' ' A' ' 102' ' ' TYR . 40.4 mt -85.72 117.65 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.46 124.55 34.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.866 HD12 HG22 ' A' ' 130' ' ' VAL . 11.5 mm -108.9 136.93 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.61 179.29 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 127' ' ' PRO . 0.3 OUTLIER 68.3 42.42 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.749 ' CG2' HD12 ' A' ' 65' ' ' LEU . 46.4 mt -124.62 132.11 24.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 158.08 58.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.797 ' NE ' ' H ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -84.57 42.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -126.07 4.8 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.749 HD12 ' CG2' ' A' ' 61' ' ' ILE . 51.2 mt -100.62 175.12 5.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.31 179.4 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.9 mp0 -74.61 -43.01 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -73.97 -12.2 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -98.16 -13.39 20.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.8 mt -110.74 -28.32 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 18.2 tttm -55.85 -44.34 99.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.7 Cg_exo -48.0 -63.27 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' PRO . 81.7 mt -37.7 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.869 ' HB2' HD11 ' A' ' 80' ' ' ILE . 44.5 m-85 -54.55 -58.47 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' CD ' ' HG2' ' A' ' 71' ' ' LYS . 9.7 mt-10 -36.52 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.2 tp10 -71.79 -46.38 58.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 30.6 m-85 -80.17 -44.66 19.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.92 151.55 22.54 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.66 86.26 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 74' ' ' PHE . 70.7 mt -41.22 148.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -104.55 -34.9 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -168.26 112.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.756 HD13 HD13 ' A' ' 100' ' ' LEU . 48.3 tp -98.97 144.85 27.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -151.53 124.44 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.35 99.35 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.81 HD11 ' CE2' ' A' ' 99' ' ' PHE . 67.9 mt -47.62 111.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -138.49 119.58 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.75 171.24 6.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -118.89 -2.29 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -104.55 -74.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -126.9 -27.97 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.39 42.15 2.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' GLY . 56.9 tpp -33.88 -55.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 53.5 t-80 -134.92 75.36 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.5 mtmt -35.03 -61.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.95 41.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.5 p -169.71 169.73 8.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.04 155.65 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.81 ' CE2' HD11 ' A' ' 86' ' ' LEU . 14.3 m-85 -101.19 137.99 38.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.756 HD13 HD13 ' A' ' 83' ' ' LEU . 15.4 tp -127.46 144.03 51.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.5 m -126.03 110.86 14.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.653 ' CD1' HD12 ' A' ' 56' ' ' LEU . 10.6 m-85 -85.66 132.73 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 64.6 m -61.0 -37.14 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.18 144.06 39.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -69.27 -58.64 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.03 -46.64 75.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 t -49.9 -56.35 10.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.606 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -42.75 -49.32 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.9 mt -48.28 -52.13 22.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -44.82 -70.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.438 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -50.67 -30.47 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -59.72 -52.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -82.92 -15.95 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -85.07 -15.74 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.1 mt -116.01 -44.58 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -51.46 122.1 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 45.74 31.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -117.45 -39.94 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 120' ' ' THR . 23.2 ttpp -121.99 155.39 35.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.43 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.1 m -126.54 116.68 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.448 ' CD1' HG12 ' A' ' 61' ' ' ILE . 39.7 mt -65.8 152.86 92.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.25 42.35 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.42 79.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.2 mmm -131.33 136.17 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -78.35 -32.53 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -100.31 153.69 37.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.681 0.753 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.488 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 53.4 Cg_endo -69.75 -179.95 3.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.6 tt -89.35 137.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -105.23 135.94 45.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.866 HG22 HD12 ' A' ' 58' ' ' ILE . 91.9 t -138.52 109.41 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -139.47 152.94 70.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.474 ' HA ' HD23 ' A' ' 56' ' ' LEU . 54.2 Cg_endo -69.75 108.3 2.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.448 ' CB ' ' HE3' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.905 0.383 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.556 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 34.9 ttpt -76.54 92.26 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.809 HD11 ' HB1' ' A' ' 108' ' ' ALA . 46.2 mt -77.43 124.53 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.95 133.72 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.589 ' CD1' HG13 ' A' ' 130' ' ' VAL . 7.1 mm -115.41 127.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.18 -174.02 15.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 54.89 54.36 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.012 HG23 HD12 ' A' ' 65' ' ' LEU . 90.0 mt -126.07 125.74 24.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 153.49 68.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.423 ' HG2' ' ND1' ' A' ' 94' ' ' HIS . 15.0 mtt85 -79.54 43.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.86 10.64 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.012 HD12 HG23 ' A' ' 61' ' ' ILE . 71.0 mt -100.82 168.54 9.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.05 155.34 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.06 -43.94 67.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -67.5 -21.8 65.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -97.01 3.3 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.548 HD21 HD13 ' A' ' 65' ' ' LEU . 30.9 mt -118.14 -37.96 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.4 tppp? -56.75 -43.29 99.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.93 -63.61 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -42.15 -72.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 1.016 ' HB2' HD11 ' A' ' 80' ' ' ILE . 79.5 m-85 -49.96 -58.93 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HG2' HD12 ' A' ' 80' ' ' ILE . 12.7 mm-40 -37.16 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 11.9 tp10 -67.91 -49.26 62.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' PHE . 77.0 m-85 -77.46 -43.57 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.42 137.4 8.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' ILE . 2.9 ttmp? -65.68 80.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.016 HD11 ' HB2' ' A' ' 74' ' ' PHE . 78.9 mt -36.86 151.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -108.51 -43.97 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.32 112.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 tp -98.9 141.13 32.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.2 m -143.96 123.74 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -83.03 131.81 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' A' ' 99' ' ' PHE . 73.0 mt -83.72 98.17 9.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 149.97 51.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.433 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 6.2 t0 -82.42 176.8 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -127.5 -8.61 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -100.32 -68.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.3 t -128.32 -31.7 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -75.03 47.14 1.89 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' GLY . 2.1 ptt? -36.5 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' GLY . 17.6 t-80 -163.97 111.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -76.93 -65.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.46 44.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.0 p -163.59 170.4 17.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.39 152.56 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.762 ' CD2' HD21 ' A' ' 86' ' ' LEU . 3.3 m-85 -101.83 132.3 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.4 tp -118.26 148.18 42.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -129.79 104.86 7.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.57 ' HD2' HD12 ' A' ' 56' ' ' LEU . 4.6 m-85 -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -57.9 -61.5 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.27 159.75 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -85.73 -46.38 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 107' ' ' SER . 10.4 pt-20 -67.17 -43.46 82.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 10.6 t -48.97 -54.26 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.809 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -43.43 -37.1 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.82 -47.05 87.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -69.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -54.37 -33.68 59.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.09 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 33.6 m -77.4 -23.16 50.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.44 ' HA ' ' CD ' ' A' ' 118' ' ' GLN . . . -76.47 -21.04 56.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 71.6 mt -108.21 -41.99 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.591 ' CE1' ' OE1' ' A' ' 129' ' ' GLN . 61.8 t60 -56.74 124.92 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 40.92 35.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 113' ' ' SER . 7.9 mt-30 -122.83 -46.33 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 120' ' ' THR . 16.4 tttm -121.36 146.0 47.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.3 m -119.71 132.66 55.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.663 HD13 HD11 ' A' ' 65' ' ' LEU . 75.7 mt -82.78 152.86 66.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.77 -28.26 7.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.2 mmm -104.45 123.68 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.39 -34.61 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.456 ' HB3' ' NH1' ' A' ' 126' ' ' ARG . 13.8 mtp-105 -96.12 155.38 38.26 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.96 10.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.476 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.6 tt -87.09 140.64 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.591 ' OE1' ' CE1' ' A' ' 116' ' ' HIS . 13.3 mm100 -105.59 134.99 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.589 HG13 ' CD1' ' A' ' 58' ' ' ILE . 26.3 t -134.37 113.91 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -146.32 152.83 47.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.504 ' CA ' HD23 ' A' ' 56' ' ' LEU . 54.0 Cg_endo -69.79 133.52 25.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.6 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.897 0.379 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 16.4 ttmt -90.58 90.17 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 HD23 ' A' ' 100' ' ' LEU . 68.4 mt -75.07 122.6 23.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -95.85 113.79 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.831 HD12 HG22 ' A' ' 130' ' ' VAL . 6.8 mm -106.91 133.26 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.31 -171.1 14.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 55.68 54.87 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.722 HG23 HD12 ' A' ' 65' ' ' LEU . 73.6 mt -130.43 120.49 18.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 160.36 49.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 38.7 ptt85 -85.05 42.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.15 4.66 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.735 HD13 HD21 ' A' ' 70' ' ' LEU . 70.0 mt -100.48 171.7 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.04 149.16 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' HG23 ' A' ' 85' ' ' VAL . 76.5 mt-10 -51.51 -41.88 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -72.08 -16.56 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.75 -17.48 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.735 HD21 HD13 ' A' ' 65' ' ' LEU . 30.3 mt -100.42 -33.62 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.6 ttmp? -53.76 -43.91 97.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.0 Cg_exo -47.92 -63.2 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD13 ' HZ3' ' A' ' 119' ' ' LYS . 47.7 mt -39.8 -72.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.475 ' HB2' HD11 ' A' ' 80' ' ' ILE . 84.7 m-85 -53.19 -56.23 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.69 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.2 tp10 -73.48 -48.03 36.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.45 -44.0 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.84 158.78 26.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.24 93.15 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 61.7 mt -49.51 155.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.467 ' N ' HG22 ' A' ' 80' ' ' ILE . 12.4 t80 -120.63 -33.52 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -172.03 112.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 tp -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.6 m -140.9 125.92 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.436 HG23 ' CG ' ' A' ' 67' ' ' GLU . 77.3 t -96.34 97.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 99' ' ' PHE . 67.4 mt -51.18 109.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.97 122.02 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.4 t70 -68.75 176.34 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -129.7 1.63 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.71 -68.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.9 t -128.9 -38.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.44 44.5 1.96 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' GLY . 54.9 mmm -33.83 -46.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.8 t-80 -134.76 76.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' HIS . 40.7 mttm -35.86 -45.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.98 1.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.4 p -162.96 175.7 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.07 151.75 25.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 11.4 m-85 -101.74 130.87 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.435 HD23 HD12 ' A' ' 56' ' ' LEU . 14.8 tp -115.3 152.15 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.416 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 95.6 m -133.72 118.04 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -100.25 126.04 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.1 m -43.03 -48.72 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -106.06 148.04 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -70.22 -59.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 107' ' ' SER . 61.4 tt0 -42.42 -58.81 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 106' ' ' GLU . 5.2 t -37.8 -50.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.2 -46.25 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -51.35 -34.46 34.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -68.6 -69.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -49.92 -28.69 7.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -58.24 -70.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -66.99 -16.26 64.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -80.81 -32.16 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.7 mt -103.17 -19.08 14.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -71.68 123.36 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 43.86 42.15 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -131.65 -33.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.3 ttmt -121.09 148.36 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.458 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 7.0 m -127.73 98.79 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 44.4 mt -48.35 151.32 1.93 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 124.0 10.64 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.02 24.75 18.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.2 mmm -140.03 117.88 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -58.29 -38.01 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 -100.1 152.75 37.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -178.21 2.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.765 HD11 HG21 ' A' ' 58' ' ' ILE . 11.0 tt -90.48 136.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -107.03 130.81 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.831 HG22 HD12 ' A' ' 58' ' ' ILE . 44.5 t -126.94 113.16 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -142.09 139.79 18.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 129.28 17.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.474 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.377 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 27.0 ttpt -86.15 88.31 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 108' ' ' ALA . 51.8 mt -74.14 127.37 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -95.29 119.95 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.623 HD12 HG22 ' A' ' 130' ' ' VAL . 12.2 mm -105.79 129.67 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.72 -172.51 14.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 55.99 43.67 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.749 0.309 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.614 HG23 HD12 ' A' ' 65' ' ' LEU . 95.8 mt -119.78 125.61 27.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.466 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.8 Cg_endo -69.74 171.2 14.87 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 3.3 mpt_? -98.34 44.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -131.45 7.79 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.652 HD13 HD21 ' A' ' 70' ' ' LEU . 78.3 mt -101.15 171.6 7.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.17 153.22 46.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' HG23 ' A' ' 85' ' ' VAL . 42.7 mt-10 -55.42 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -72.15 -18.99 61.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.07 -17.84 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 65' ' ' LEU . 30.6 mt -99.08 -28.49 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 66.4 tttt -55.92 -43.18 99.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.698 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.1 Cg_exo -48.01 -63.11 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.46 HD22 ' HE3' ' A' ' 119' ' ' LYS . 72.7 mt -41.96 -72.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 76' ' ' GLU . 67.9 m-85 -52.95 -59.96 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -40.78 -24.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' PHE . 6.3 tp10 -77.82 -45.51 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' PHE . 39.3 m-85 -76.5 -44.02 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.69 162.77 26.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.2 88.88 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 80.5 mt -41.15 138.22 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -101.94 -37.49 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 25.7 tt0 -171.58 112.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 31.3 tp -97.75 136.46 38.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.7 m -144.44 121.74 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.434 HG23 ' CG ' ' A' ' 67' ' ' GLU . 84.8 t -90.79 119.88 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.621 HD12 ' SG ' ' A' ' 97' ' ' CYS . 83.3 mt -59.62 118.77 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -132.4 119.66 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.412 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.7 t70 -66.43 -179.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -131.08 12.69 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -128.86 -71.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -124.84 -30.93 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.27 40.24 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' GLY . 13.8 mmt -33.19 -46.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.526 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.9 t-80 -134.96 93.23 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -63.51 169.72 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.03 45.03 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.621 ' SG ' HD12 ' A' ' 86' ' ' LEU . 23.3 p -162.35 170.3 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.26 151.27 27.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.542 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 7.1 m-85 -101.59 129.16 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.3 tp -117.33 149.79 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.6 m -132.13 119.25 20.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -100.6 126.48 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.1 p -50.63 -47.77 58.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -96.98 151.23 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -80.8 -47.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.01 -42.31 94.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.6 p -54.35 -35.69 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.7 mt -54.12 -51.53 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -54.04 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.47 60.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -57.68 -58.1 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.5 m -76.65 -18.07 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -84.6 -14.38 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.5 mt -113.95 -42.68 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -49.41 131.78 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 38.75 36.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -46.73 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.46 ' HE3' HD22 ' A' ' 73' ' ' LEU . 18.8 mttm -108.92 150.16 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.0 m -128.79 91.39 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 62' ' ' PRO . 94.3 mt -41.39 152.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 134.49 28.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.66 26.51 53.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.4 mmm -137.55 119.65 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.91 -36.86 82.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -100.06 154.78 37.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.52 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 128' ' ' ILE . 16.6 tt -97.08 127.3 49.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.16 137.95 33.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.623 HG22 HD12 ' A' ' 58' ' ' ILE . 56.9 t -137.38 115.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -145.05 142.37 18.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.417 ' HA ' HD23 ' A' ' 56' ' ' LEU . 53.2 Cg_endo -69.82 115.3 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' A' ' 105' ' ' ARG . 52.3 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.368 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.696 ' HD2' ' HB3' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -104.8 116.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.812 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.517 HD11 ' HB1' ' A' ' 108' ' ' ALA . 20.1 mt -92.37 123.94 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -98.06 113.65 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.852 ' CG2' HD11 ' A' ' 128' ' ' ILE . 8.2 mm -97.53 132.56 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.53 -172.49 13.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 54.47 54.76 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.612 ' CG2' HD12 ' A' ' 65' ' ' LEU . 46.6 mt -131.96 133.95 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' A' ' 61' ' ' ILE . 53.9 Cg_endo -69.78 -176.8 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HA ' ' ND1' ' A' ' 94' ' ' HIS . 25.7 ptt-85 -110.97 44.84 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.98 5.28 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.612 HD12 ' CG2' ' A' ' 61' ' ' ILE . 28.7 mt -101.09 172.5 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.06 159.01 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.474 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 4.0 mp0 -60.75 -21.59 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -89.07 -10.83 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.28 -6.15 16.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.448 HD21 HD13 ' A' ' 65' ' ' LEU . 28.3 mt -110.08 -28.93 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.632 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 46.1 tttt -58.88 -42.68 95.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.9 Cg_exo -48.0 -62.61 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.4 mt -44.62 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CD1' HD22 ' A' ' 100' ' ' LEU . 74.8 m-85 -49.66 -58.92 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HB2' HD12 ' A' ' 80' ' ' ILE . 12.9 tp10 -46.21 -20.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -77.29 -42.82 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.67 -43.82 22.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.72 162.4 26.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -80.16 94.29 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 81' ' ' TYR . 70.2 mt -48.71 160.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.548 ' N ' HG22 ' A' ' 80' ' ' ILE . 4.8 t80 -122.83 -38.27 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -169.76 112.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.4 tp -98.87 132.99 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -139.32 122.1 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.688 HG12 ' HD2' ' A' ' 87' ' ' LYS . 46.8 t -83.16 130.45 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.685 HD11 ' CE2' ' A' ' 99' ' ' PHE . 85.1 mt -89.67 95.15 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.688 ' HD2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.29 164.13 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.14 -178.66 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HG2' ' CD1' ' A' ' 90' ' ' PHE . 8.6 ptm180 -130.09 -5.41 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CD1' ' HG2' ' A' ' 89' ' ' ARG . 93.8 m-85 -107.91 -74.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.2 t -113.42 -35.17 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -77.03 46.55 2.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 92' ' ' GLY . 16.2 ptm -30.99 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 92' ' ' GLY . 3.5 t-80 -158.41 110.76 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -67.96 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.22 47.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.6 p -171.02 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.06 155.32 33.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 86' ' ' LEU . 2.5 m-85 -105.1 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.514 HD22 ' CD1' ' A' ' 74' ' ' PHE . 17.4 tp -113.22 142.57 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.8 m -128.14 108.5 10.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.407 ' CE2' HD21 ' A' ' 100' ' ' LEU . 5.0 m-85 -90.19 123.39 33.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -39.55 -57.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -94.05 114.07 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.494 ' HB2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -49.31 -42.05 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -58.45 -41.57 85.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -46.45 67.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -51.83 -36.74 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.1 mt -55.35 -35.37 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -72.42 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.69 -19.38 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.065 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -67.51 -65.64 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 t -75.19 -13.88 60.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.87 -18.84 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.0 mt -112.84 -49.35 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -41.97 128.1 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 39.92 47.19 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -130.49 -51.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.3 ttmm -116.82 141.51 48.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.1 m -116.92 130.16 56.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.88 152.39 74.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.12 6.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.329 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.3 -26.54 7.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.421 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 71.4 mmm -104.56 121.73 44.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -59.12 -33.07 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -99.73 153.99 37.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.852 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.3 tt -84.13 142.23 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -111.37 136.32 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.511 HG22 HD12 ' A' ' 58' ' ' ILE . 41.5 t -134.77 117.55 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -143.93 140.16 16.84 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 107.63 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.696 ' HB3' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.891 0.377 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 38.0 ttpt -92.31 99.95 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 102' ' ' TYR . 43.9 mt -78.06 130.28 36.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' HB2' ' HB2' ' A' ' 133' ' ' ALA . 7.5 t80 -99.48 116.51 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.717 ' CG2' HD11 ' A' ' 61' ' ' ILE . 9.8 mm -103.91 128.56 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.53 -176.29 14.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 55.97 54.96 7.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.717 HD11 ' CG2' ' A' ' 58' ' ' ILE . 84.4 mt -131.84 132.86 23.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.545 ' O ' ' CE1' ' A' ' 94' ' ' HIS . 53.0 Cg_endo -69.79 -168.24 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HB3' ' ND1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -118.91 44.88 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.16 11.05 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.807 HD13 HD21 ' A' ' 70' ' ' LEU . 67.0 mt -100.33 171.98 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.79 157.27 46.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.432 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.9 mp0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 14.7 ptpt -77.27 -10.92 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.38 -20.54 14.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.807 HD21 HD13 ' A' ' 65' ' ' LEU . 43.1 mt -101.22 -39.21 7.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.2 ttmm -53.37 -46.02 98.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.6 Cg_exo -47.95 -55.53 3.93 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.595 HD22 ' NZ ' ' A' ' 119' ' ' LYS . 41.9 mt -45.33 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 1.027 ' HB2' HD11 ' A' ' 80' ' ' ILE . 75.1 m-85 -51.27 -50.55 59.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 5.8 tt0 -40.08 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.9 tt0 -76.33 -41.59 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 74' ' ' PHE . 66.7 m-85 -78.77 -43.64 25.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.62 158.29 26.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' ILE . 38.6 tttt -80.13 75.26 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.027 HD11 ' HB2' ' A' ' 74' ' ' PHE . 80.1 mt -36.5 143.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -108.36 -34.92 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' OE1' ' C ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -160.93 135.01 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 67' ' ' GLU . 31.3 tp -123.04 131.38 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 m -138.35 126.37 22.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.402 HG21 ' OE2' ' A' ' 67' ' ' GLU . 86.7 t -90.6 102.29 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 99' ' ' PHE . 42.8 mt -56.08 92.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -135.82 138.13 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.06 179.05 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.19 4.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -116.94 -70.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -124.79 -27.72 3.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.5 40.93 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' GLY . 48.2 mtp -34.07 -38.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.545 ' CE1' ' O ' ' A' ' 62' ' ' PRO . 42.2 t-80 -152.66 110.07 3.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.48 ' CE ' ' HB3' ' A' ' 86' ' ' LEU . 52.8 mtmt -74.28 -56.94 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.28 40.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 24.2 p -174.89 171.42 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.91 155.11 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 86' ' ' LEU . 2.8 m-85 -101.39 125.48 48.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.441 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 36.7 tp -125.37 127.84 47.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.3 m -110.98 134.01 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.684 ' CD1' HD12 ' A' ' 56' ' ' LEU . 8.8 m-85 -98.95 150.82 21.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 29.0 t -68.11 -40.94 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.97 165.09 11.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -84.85 -53.79 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 107' ' ' SER . 7.2 pt-20 -65.02 -35.86 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 6.8 m -47.97 -48.28 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.12 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.8 mt -48.48 -39.07 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -62.42 -62.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.427 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -62.5 -17.59 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.452 HE21 HD21 ' A' ' 56' ' ' LEU . 30.0 mt-30 -72.85 -44.97 60.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 m -94.93 -16.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 118' ' ' GLN . . . -78.91 -38.85 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.431 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 45.9 mt -90.08 -57.95 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' LEU . 49.0 t60 -35.45 128.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 39.55 46.91 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.1 tm0? -133.99 -53.7 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.595 ' NZ ' HD22 ' A' ' 73' ' ' LEU . 15.0 ttmt -108.68 145.69 34.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.453 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 33.5 m -121.31 126.17 48.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.537 HD13 HD11 ' A' ' 65' ' ' LEU . 85.5 mt -76.53 151.95 83.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 114.75 3.81 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.25 -25.15 8.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.4 mmm -100.78 121.14 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -58.63 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -97.87 155.68 36.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 119' ' ' LYS . 16.1 tt -88.2 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -108.81 126.53 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.622 HG13 ' CD1' ' A' ' 58' ' ' ILE . 26.2 t -124.3 116.95 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 142.73 16.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.877 0.37 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.554 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 30.4 ttpt -97.71 91.82 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.482 HD11 ' HB1' ' A' ' 108' ' ' ALA . 36.8 mt -73.9 123.22 23.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -94.82 119.43 33.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.665 HD12 HG22 ' A' ' 130' ' ' VAL . 6.0 mm -102.99 140.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.18 -179.04 16.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 60.92 54.78 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.71 ' CG2' HD12 ' A' ' 65' ' ' LEU . 38.3 mt -130.49 132.82 24.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.503 ' O ' ' CE1' ' A' ' 94' ' ' HIS . 53.6 Cg_endo -69.79 162.56 41.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.537 ' HB3' ' CG ' ' A' ' 94' ' ' HIS . 4.9 ptp180 -92.93 44.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.04 11.25 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.71 HD12 ' CG2' ' A' ' 61' ' ' ILE . 83.5 mt -100.82 176.49 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -140.15 174.22 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -75.49 -39.46 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -71.94 -19.88 61.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.79 -22.06 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.433 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.7 mt -95.88 -33.14 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.1 tttt -52.12 -44.68 93.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.95 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.456 HD22 ' HE3' ' A' ' 119' ' ' LYS . 63.9 mt -38.78 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 77' ' ' PHE . 52.2 m-85 -57.12 -58.06 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 32.7 tt0 -36.17 -30.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 74' ' ' PHE . 8.1 tp10 -72.9 -45.81 56.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 74' ' ' PHE . 12.5 m-85 -76.49 -44.53 34.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.23 148.56 20.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -70.51 89.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.727 0.299 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 65.1 mt -42.75 137.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -104.88 -38.2 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -160.85 112.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 tp -105.76 137.65 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.0 m -143.82 122.78 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.7 95.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.599 HD21 ' CD2' ' A' ' 99' ' ' PHE . 49.0 mt -48.78 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -135.76 136.06 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.444 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.4 t0 -79.54 175.07 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.25 -3.74 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -105.03 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.7 t -129.2 -33.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -75.03 46.99 1.86 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' GLY . 7.4 mtt -33.46 -49.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.537 ' CG ' ' HB3' ' A' ' 63' ' ' ARG . 18.8 t-80 -135.0 74.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.7 mtmt -33.99 -44.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.56 45.22 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.7 p -172.76 172.78 4.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.78 148.11 18.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CD2' HD21 ' A' ' 86' ' ' LEU . 6.0 m-85 -100.08 129.39 46.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.429 HD11 HG12 ' A' ' 80' ' ' ILE . 15.2 tp -122.78 146.41 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.9 m -133.99 127.3 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.556 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 19.6 m-85 -98.7 138.31 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 23.7 m -52.29 -44.76 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -110.69 141.67 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -56.66 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 109' ' ' LEU . 24.9 tt0 -43.3 -52.89 5.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 t -39.48 -43.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -56.47 -42.76 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' GLU . 21.9 mt -57.18 -51.29 69.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 54.8 mttp -50.21 -63.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.55 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.55 -62.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.0 m -75.4 -1.82 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.541 ' C ' ' NE2' ' A' ' 118' ' ' GLN . . . -106.0 -19.97 13.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.462 ' N ' ' NE2' ' A' ' 118' ' ' GLN . 70.6 mt -114.81 -43.36 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -46.97 127.84 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 41.9 47.9 3.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.541 ' NE2' ' C ' ' A' ' 114' ' ' ALA . 1.4 mt-30 -134.93 -42.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.456 ' HE3' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -119.52 146.53 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 127' ' ' PRO . 8.5 m -123.83 138.19 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.7 155.08 71.06 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.17 6.99 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.21 25.27 22.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.6 mmm -140.19 111.97 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -59.42 -31.04 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 28.3 ttm180 -100.19 139.54 20.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.7 Cg_endo -69.73 162.64 41.26 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 58' ' ' ILE . 16.2 tt -64.89 125.72 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -99.0 129.61 45.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.665 HG22 HD12 ' A' ' 58' ' ' ILE . 58.3 t -126.87 109.16 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -138.59 141.11 29.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 113.96 3.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 105' ' ' ARG . 50.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.915 0.388 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -83.54 92.26 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 ' CD2' ' A' ' 102' ' ' TYR . 19.0 mt -74.82 116.4 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -88.39 126.16 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 130' ' ' VAL . 11.0 mm -110.67 134.98 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.67 172.75 22.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 71.1 45.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.683 ' CG2' HD12 ' A' ' 65' ' ' LEU . 87.6 mt -127.92 132.97 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.143 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.79 150.2 67.7 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 41.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -123.28 2.75 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.683 HD12 ' CG2' ' A' ' 61' ' ' ILE . 52.8 mt -100.6 179.59 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.79 173.52 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CG ' HG23 ' A' ' 85' ' ' VAL . 23.8 mt-10 -69.87 -36.61 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 57.1 tttt -73.28 -15.62 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.82 -19.78 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 28.3 mt -101.46 -31.45 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.636 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 45.1 tttp -59.45 -42.03 90.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 110.931 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.7 Cg_exo -48.02 -63.04 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -43.28 -72.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 76' ' ' GLU . 71.2 m-85 -53.12 -60.49 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 3.8 tp10 -40.2 -25.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.3 tt0 -72.11 -47.44 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' PHE . 32.2 m-85 -73.77 -44.41 56.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.93 157.33 25.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -79.76 91.03 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' A' ' 71' ' ' LYS . 80.6 mt -44.13 154.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.114 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.454 ' HD2' HG21 ' A' ' 101' ' ' THR . 25.7 t80 -110.77 -36.84 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -164.02 112.74 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 100' ' ' LEU . 30.8 tp -96.97 134.62 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.0 m -145.67 111.3 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.527 HG23 ' CG ' ' A' ' 67' ' ' GLU . 73.3 t -85.24 101.06 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 99' ' ' PHE . 59.4 mt -42.59 119.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -136.47 133.1 36.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.434 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.3 t70 -95.31 179.4 5.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 28.6 ttm180 -124.61 8.23 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.25 -75.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 92' ' ' GLY . 9.1 t -122.36 -41.44 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.434 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.29 41.74 2.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' GLY . 4.3 mtt -35.77 -36.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -125.33 -23.21 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' GLY . 28.0 mtmm 56.6 25.08 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.6 57.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.0 p -174.97 172.43 2.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.3 23.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.612 ' CE2' HD11 ' A' ' 86' ' ' LEU . 4.1 m-85 -105.62 135.29 47.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.489 HD12 HD13 ' A' ' 83' ' ' LEU . 13.8 tp -124.17 145.5 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.454 HG21 ' HD2' ' A' ' 81' ' ' TYR . 47.7 m -130.14 117.04 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.728 ' HB2' ' HB2' ' A' ' 108' ' ' ALA . 10.6 m-85 -95.14 127.0 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 19.2 m -45.92 -59.25 2.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -91.77 106.41 18.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 106' ' ' GLU . 2.3 ppt_? -40.95 -41.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.496 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 11.3 pt-20 -66.22 -54.7 22.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.5 p -46.76 -34.41 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.728 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . . . -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.16 -36.17 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.09 -67.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -51.91 -34.71 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -51.75 -59.09 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.4 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 2.4 t -77.4 -17.54 58.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -79.42 -25.31 42.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 74' ' ' PHE . 39.0 mt -106.91 -48.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.474 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 69.9 t60 -43.76 133.9 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' HIS . 46.5 mm-40 36.22 33.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' HIS . 1.6 mt-30 -125.78 -36.71 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.929 ' O ' HG22 ' A' ' 128' ' ' ILE . 8.3 ttmm -126.39 137.38 53.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.0 m -118.38 128.41 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 61' ' ' ILE . 47.3 mt -75.52 150.98 84.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.1 7.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.23 -28.27 7.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.411 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 67.6 mmm -102.78 126.55 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.5 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -91.08 154.13 44.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 172.97 11.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.929 HG22 ' O ' ' A' ' 119' ' ' LYS . 18.8 tt -80.56 134.07 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -99.78 131.55 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.784 HG22 HD12 ' A' ' 58' ' ' ILE . 58.9 t -138.96 112.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.474 ' HD3' ' CE1' ' A' ' 116' ' ' HIS . 20.5 mmmt -146.04 151.98 46.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 131.79 22.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.862 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.896 0.379 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE3' ' CG ' ' A' ' 99' ' ' PHE . 9.3 tttp -80.62 104.15 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.622 HD12 HD23 ' A' ' 100' ' ' LEU . 91.9 mt -78.04 156.19 30.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.2 119.83 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.748 HD12 HG22 ' A' ' 130' ' ' VAL . 8.8 mm -106.52 137.4 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.67 -175.61 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.708 ' O ' HD12 ' A' ' 121' ' ' LEU . 1.9 mp0 57.98 54.99 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.981 HG23 HD12 ' A' ' 65' ' ' LEU . 93.5 mt -126.07 124.56 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.492 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.6 Cg_endo -69.7 158.02 58.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.72 4.06 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.981 HD12 HG23 ' A' ' 61' ' ' ILE . 61.1 mt -101.5 171.31 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.23 158.26 44.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.572 ' CG ' HG23 ' A' ' 85' ' ' VAL . 11.2 mt-10 -58.68 -42.29 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 17.5 tptt -73.59 -21.54 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.94 -17.28 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.771 HD21 HD13 ' A' ' 65' ' ' LEU . 31.0 mt -101.03 -37.76 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -52.71 -44.18 94.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.9 Cg_exo -48.05 -63.34 0.32 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.646 2.23 . . . . 0.0 112.32 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.6 mt -40.31 -70.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.962 ' HB2' HD11 ' A' ' 80' ' ' ILE . 97.0 m-85 -49.79 -51.4 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' PHE . 12.4 tt0 -37.79 -35.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -70.76 -43.13 69.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 28.7 m-85 -72.01 -45.09 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.5 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.7 158.61 26.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -80.66 73.0 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.962 HD11 ' HB2' ' A' ' 74' ' ' PHE . 71.4 mt -41.38 152.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.407 ' N ' HG22 ' A' ' 80' ' ' ILE . 22.0 t80 -114.88 -34.42 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -168.44 113.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 99' ' ' PHE . 34.8 tp -99.77 144.7 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.9 m -149.86 116.71 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 67' ' ' GLU . 84.0 t -89.16 114.88 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.753 HD11 ' CE2' ' A' ' 99' ' ' PHE . 84.9 mt -55.06 104.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -131.07 112.77 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.453 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -60.29 163.32 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -113.78 -1.02 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -105.28 -75.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -129.93 -28.22 2.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.453 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.89 41.28 2.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.5 mtt -59.94 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 95' ' ' LYS . 1.8 t-80 71.64 54.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 94' ' ' HIS . 9.8 mtmm -33.33 -64.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.39 36.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.4 p -156.17 174.85 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.11 155.92 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.753 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.4 m-85 -108.14 135.04 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.737 HD11 HG12 ' A' ' 80' ' ' ILE . 13.8 tp -122.8 139.98 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.9 m -126.62 121.24 31.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.5 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 2.0 m-85 -104.18 136.51 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.5 t -48.24 -60.99 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -93.25 168.18 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 105' ' ' ARG . 14.2 mtp-105 -84.83 -56.9 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 109' ' ' LEU . 16.6 tp10 -44.11 -55.27 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.5 p -40.75 -53.73 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.83 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 106' ' ' GLU . 34.1 mt -46.84 -43.48 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -54.73 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -55.07 -31.71 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.492 ' OE1' ' CD2' ' A' ' 56' ' ' LEU . 6.3 tt0 -54.8 -45.04 74.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.8 m -96.35 -19.42 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -79.38 -23.27 43.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.601 HD22 ' NZ ' ' A' ' 119' ' ' LYS . 62.6 mt -105.5 -45.2 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.449 ' NE2' ' OE2' ' A' ' 117' ' ' GLU . 84.4 t60 -51.85 135.04 30.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' NE2' ' A' ' 116' ' ' HIS . 59.6 mt-10 36.38 40.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -122.2 -44.14 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.601 ' NZ ' HD22 ' A' ' 115' ' ' LEU . 8.6 pttm -126.21 146.96 49.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 127' ' ' PRO . 14.9 m -117.78 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 60' ' ' GLN . 74.6 mt -74.53 154.59 87.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 123.39 10.06 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.46 27.8 31.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mmm -140.24 115.62 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -63.04 -28.89 70.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -100.09 134.98 20.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.406 ' HA ' HG23 ' A' ' 120' ' ' THR . 54.2 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 58' ' ' ILE . 15.5 tt -63.42 130.64 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -104.83 146.82 28.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.748 HG22 HD12 ' A' ' 58' ' ' ILE . 24.5 t -144.6 122.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.74 152.55 48.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 102.62 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.737 2.291 . . . . 0.0 112.345 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 133' ' ' ALA . 0.4 OUTLIER -101.97 123.63 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 102' ' ' TYR . 63.3 mt -93.48 121.62 35.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.411 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -87.77 129.58 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.857 HD12 HG22 ' A' ' 130' ' ' VAL . 20.3 mm -112.71 135.5 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.47 16.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 60.2 54.99 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.711 HG23 HD12 ' A' ' 65' ' ' LEU . 71.7 mt -132.16 126.83 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 151.36 68.84 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.309 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HA ' ' CG ' ' A' ' 94' ' ' HIS . 7.5 ptp85 -79.53 43.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 64' ' ' ASN . 3.2 t30 -126.01 2.83 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.711 HD12 HG23 ' A' ' 61' ' ' ILE . 62.4 mt -100.46 173.7 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.19 153.64 46.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.543 ' CG ' HG23 ' A' ' 85' ' ' VAL . 28.0 mt-10 -51.39 -42.2 61.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 38.2 tttp -64.27 -26.37 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.86 7.44 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.15 -37.19 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.622 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.3 ttpp -62.29 -43.29 84.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.0 Cg_exo -47.88 -53.12 7.06 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.3 mt -52.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 115' ' ' LEU . 80.5 m-85 -52.26 -55.31 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 80' ' ' ILE . 9.6 tt0 -38.1 -46.12 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.21 -39.52 79.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' PHE . 33.8 m-85 -76.54 -45.19 31.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.434 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.79 166.94 26.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -80.46 118.74 22.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.551 HD13 ' HG3' ' A' ' 71' ' ' LYS . 82.5 mt -92.19 136.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.431 ' CD1' ' HB2' ' A' ' 82' ' ' GLU . 22.3 t80 -101.76 -41.11 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.7 tt0 -160.32 121.24 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 100' ' ' LEU . 38.1 tp -103.65 144.26 31.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -144.67 118.89 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.543 HG23 ' CG ' ' A' ' 67' ' ' GLU . 90.8 t -92.31 97.97 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.599 HD11 ' CE2' ' A' ' 99' ' ' PHE . 78.5 mt -37.19 109.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -126.76 137.4 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.57 -27.35 61.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 89' ' ' ARG . 66.0 ttt-85 56.17 24.92 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -134.98 -73.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 t -135.04 -39.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.15 30.29 2.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' GLY . 8.2 ptt? -36.74 119.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 63' ' ' ARG . 7.5 t-80 70.75 54.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.8 mttt -32.73 -64.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.0 35.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.546 ' SG ' HD12 ' A' ' 86' ' ' LEU . 11.8 p -164.76 175.52 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.03 145.74 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CE2' HD11 ' A' ' 86' ' ' LEU . 7.3 m-85 -101.96 122.0 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 83' ' ' LEU . 31.7 tp -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.0 m -119.51 112.84 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 4.8 m-85 -96.52 130.08 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.83 -65.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -73.88 168.02 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -83.48 -56.34 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 109' ' ' LEU . 56.9 mt-10 -62.29 -44.79 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.4 p -39.55 -37.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -68.95 -43.43 75.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' GLU . 23.3 mt -55.04 -50.74 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 76.1 mttt -46.36 -67.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.95 67.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.441 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 12.3 tt0 -58.48 -63.81 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -73.6 -24.19 60.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.36 -32.68 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.583 HD13 ' CE1' ' A' ' 74' ' ' PHE . 26.4 mt -96.15 -46.89 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 117' ' ' GLU . 68.3 t60 -43.82 130.3 5.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 116' ' ' HIS . 16.5 mm-40 35.66 45.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -133.69 -42.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.43 ' NZ ' HD22 ' A' ' 115' ' ' LEU . 5.1 ttpm? -115.44 156.86 24.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.0 m -138.37 119.62 14.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 65' ' ' LEU . 84.9 mt -68.18 150.64 97.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 118.93 5.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.81 -27.35 7.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mmm -100.2 122.4 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -59.63 -37.0 77.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -92.46 156.06 41.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.531 0.682 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.234 . . . . 0.0 112.351 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.433 HD11 ' CG2' ' A' ' 58' ' ' ILE . 16.3 tt -97.78 140.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -104.1 133.98 48.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.857 HG22 HD12 ' A' ' 58' ' ' ILE . 50.1 t -138.12 111.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -144.05 153.14 56.45 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.441 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.78 127.42 14.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.493 ' HB2' ' HE1' ' A' ' 99' ' ' PHE . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.714 HD12 ' HB2' ' A' ' 105' ' ' ARG . 84.7 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.889 0.376 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 133' ' ' ALA . 5.9 pttm -98.88 116.6 31.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.532 HD12 ' CD2' ' A' ' 102' ' ' TYR . 26.9 mt -81.12 131.42 35.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -101.29 111.13 23.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.843 ' CD1' HG13 ' A' ' 130' ' ' VAL . 8.8 mm -100.75 140.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.57 -175.33 13.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 58.21 54.92 5.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.71 ' CG2' HD12 ' A' ' 65' ' ' LEU . 59.5 mt -132.03 127.2 20.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HD2' HD13 ' A' ' 121' ' ' LEU . 54.3 Cg_endo -69.78 159.64 52.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.43 ' HB3' ' ND1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -86.54 42.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -123.71 1.43 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.71 HD12 ' CG2' ' A' ' 61' ' ' ILE . 49.5 mt -100.97 173.18 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.08 158.82 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CG ' HG23 ' A' ' 85' ' ' VAL . 29.4 mt-10 -58.43 -34.33 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -75.1 -12.42 60.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -108.69 -8.91 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.49 HD21 HD13 ' A' ' 65' ' ' LEU . 31.1 mt -108.55 -36.22 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 41.6 tttt -58.33 -42.91 97.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.97 -63.06 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -42.32 -68.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 1.004 ' HB2' HD11 ' A' ' 80' ' ' ILE . 87.4 m-85 -49.8 -55.33 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -37.13 -33.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.19 -56.73 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.73 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.526 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.73 155.91 25.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.22 76.81 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 74' ' ' PHE . 70.0 mt -37.92 157.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.495 ' N ' HG22 ' A' ' 80' ' ' ILE . 5.2 t80 -121.08 -33.52 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -171.9 113.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.09 134.16 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.9 m -133.88 119.37 19.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.421 HG23 ' CG ' ' A' ' 67' ' ' GLU . 54.8 t -83.22 125.08 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 99' ' ' PHE . 64.5 mt -77.32 105.51 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.59 151.34 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.425 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.0 t0 -89.68 174.11 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -126.58 1.34 6.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -112.08 -71.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.5 t -127.14 -30.67 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.27 45.61 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 92' ' ' GLY . 20.5 ptm -33.49 -43.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.43 ' ND1' ' HB3' ' A' ' 63' ' ' ARG . 6.5 t-80 -146.42 106.43 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -68.94 -49.14 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.94 46.1 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.4 p -173.88 173.75 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.92 152.14 26.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 86' ' ' LEU . 9.8 m-85 -103.66 126.62 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD11 HG12 ' A' ' 80' ' ' ILE . 35.9 tp -113.16 149.81 33.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.1 m -126.26 107.83 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CD2' HD12 ' A' ' 56' ' ' LEU . 3.7 m-85 -92.59 123.88 36.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 63.1 m -38.75 -68.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.8 112.06 20.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.714 ' HB2' HD12 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -44.58 -42.88 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.461 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 37.8 tt0 -59.37 -50.46 73.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -43.57 -45.25 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.38 -40.23 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.5 mt -54.63 -32.54 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -66.2 -69.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.655 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -50.9 -32.02 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.408 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 34.1 mt-30 -46.81 -61.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.3 t -81.17 -19.96 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -75.8 -17.21 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.9 mt -113.8 -48.97 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -45.99 122.34 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 50.69 37.42 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -133.69 -39.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.96 ' O ' HG22 ' A' ' 128' ' ' ILE . 17.1 tptp -110.53 126.55 54.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.4 m -119.7 121.31 38.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 62' ' ' PRO . 24.8 mt -73.63 151.21 89.18 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 114.58 3.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.07 -15.0 16.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 mmm -110.98 111.18 22.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -58.24 -26.34 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 39.2 ttt85 -96.56 139.7 21.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.9 Cg_endo -69.82 156.09 64.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.96 HG22 ' O ' ' A' ' 119' ' ' LYS . 16.2 tt -65.91 144.1 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -112.63 137.57 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.843 HG13 ' CD1' ' A' ' 58' ' ' ILE . 22.0 t -134.85 117.06 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -144.27 141.01 17.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.408 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.77 120.62 7.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.467 ' HB3' ' HE2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.401 HD11 ' HG3' ' A' ' 105' ' ' ARG . 64.3 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.938 0.399 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -88.79 88.21 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 102' ' ' TYR . 51.4 mt -75.74 123.88 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.44 113.84 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.779 ' CG2' HD11 ' A' ' 128' ' ' ILE . 16.1 mm -97.95 133.23 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.49 -169.79 12.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.548 ' O ' HD12 ' A' ' 121' ' ' LEU . 79.2 mt-30 55.7 54.97 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.969 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.751 HG12 HD11 ' A' ' 121' ' ' LEU . 67.1 mt -133.02 130.66 21.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.3 Cg_endo -69.86 -172.39 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.535 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 47.4 ttp85 -111.95 45.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -133.9 10.09 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.73 HD12 HG23 ' A' ' 61' ' ' ILE . 89.9 mt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -140.2 154.38 46.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' CG ' HG23 ' A' ' 85' ' ' VAL . 80.5 mt-10 -54.55 -40.04 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -72.33 -19.0 61.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.441 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -91.36 -25.83 19.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD21 HD13 ' A' ' 65' ' ' LEU . 38.1 mt -91.89 -35.83 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 25.2 tttp -50.75 -44.86 85.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.907 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.99 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -38.28 -73.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 76' ' ' GLU . 52.7 m-85 -56.27 -58.2 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 74' ' ' PHE . 7.6 tt0 -35.75 -31.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' PHE . 27.2 tt0 -73.11 -50.45 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 10.0 m-85 -68.49 -45.4 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.0 160.93 27.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -80.66 88.65 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 81' ' ' TYR . 48.0 mt -41.63 153.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.417 ' N ' HG22 ' A' ' 80' ' ' ILE . 15.8 t80 -113.47 -34.14 5.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -174.89 112.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.1 tp -97.78 140.17 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.8 m -148.68 110.62 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.445 HG23 ' CG ' ' A' ' 67' ' ' GLU . 91.5 t -68.2 136.12 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.565 HD21 ' CD2' ' A' ' 99' ' ' PHE . 43.0 mt -89.94 98.29 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.72 143.19 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.443 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 3.1 t70 -87.17 175.53 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -126.93 0.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -109.88 -65.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -133.54 -31.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -80.62 36.43 2.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 76.3 mtm -52.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.535 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 8.4 t-80 71.23 53.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' HIS . 23.1 mtmt -32.92 -64.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.22 42.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.1 p -159.92 173.77 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.88 153.25 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 6.1 m-85 -99.92 132.02 45.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.92 144.47 48.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.8 m -127.37 113.82 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.547 ' CD2' HD12 ' A' ' 56' ' ' LEU . 10.3 m-85 -87.23 132.5 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.8 m -54.34 -40.82 68.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -110.63 158.81 18.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.401 ' HG3' HD11 ' A' ' 54' ' ' ILE . 25.6 ttp180 -79.82 -44.83 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.604 ' OE2' HD12 ' A' ' 109' ' ' LEU . 19.7 tp10 -61.92 -53.74 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.8 p -42.65 -37.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -60.45 -40.32 90.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.604 HD12 ' OE2' ' A' ' 106' ' ' GLU . 32.9 mt -55.66 -51.36 67.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -53.48 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -54.8 -35.95 64.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -56.74 -58.95 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -76.4 -21.05 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -77.77 -28.28 50.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.4 mt -104.06 -52.66 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' GLU . 72.7 t60 -42.6 127.67 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' HIS . 26.5 mt-10 37.15 45.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.2 -47.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.533 ' O ' HG22 ' A' ' 128' ' ' ILE . 39.7 tttp -114.15 153.42 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.432 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 20.2 m -125.03 144.6 50.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 61' ' ' ILE . 76.7 mt -87.85 154.67 52.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 104.43 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.226 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 107.46 21.61 7.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 60' ' ' GLN . 13.5 mtp -132.9 105.08 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -45.8 -38.55 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -100.15 155.11 36.79 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.421 ' O ' ' CD ' ' A' ' 60' ' ' GLN . 54.0 Cg_endo -69.77 -167.43 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.779 HD11 ' CG2' ' A' ' 58' ' ' ILE . 14.4 tt -99.86 134.21 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -98.74 140.12 33.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 58' ' ' ILE . 45.2 t -137.59 111.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.48 29.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.72 19.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.507 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.472 ' CD1' ' HG2' ' A' ' 105' ' ' ARG . 24.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' ALA . 18.2 mtmt -78.17 99.62 6.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' A' ' 108' ' ' ALA . 19.0 mt -83.28 111.71 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 2.4 t80 -90.94 122.11 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.903 ' CD1' HG13 ' A' ' 130' ' ' VAL . 7.3 mm -108.07 139.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.61 177.93 16.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 61.16 54.44 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.83 HG23 HD12 ' A' ' 65' ' ' LEU . 66.8 mt -123.92 122.6 26.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 154.27 67.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.358 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 11.6 ptp180 -80.95 41.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -129.46 7.81 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.83 HD12 HG23 ' A' ' 61' ' ' ILE . 70.9 mt -100.66 172.26 7.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.67 158.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HG3' HG23 ' A' ' 85' ' ' VAL . 31.3 mp0 -60.54 -42.43 96.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.21 -14.23 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.92 -16.0 22.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 65' ' ' LEU . 31.4 mt -106.52 -24.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -58.52 -43.9 98.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.98 -63.55 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 31.2 mt -42.1 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.711 ' HB2' HD11 ' A' ' 80' ' ' ILE . 72.6 m-85 -50.92 -49.21 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 31.2 tt0 -51.99 -21.83 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -78.29 -41.28 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -78.69 -44.38 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.9 161.23 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -80.36 92.95 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 74' ' ' PHE . 58.9 mt -55.7 141.79 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -103.05 -37.6 7.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -167.57 114.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -100.58 141.93 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 66.9 m -144.58 118.62 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' A' ' 67' ' ' GLU . 47.3 t -87.76 114.59 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 99' ' ' PHE . 54.8 mt -65.29 85.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -137.73 104.98 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.423 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 11.9 t0 -61.74 174.27 0.84 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.63 6.44 6.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -114.53 -61.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 92' ' ' GLY . 9.7 t -133.17 -41.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.423 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.11 42.06 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.2 tpt -59.5 109.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LYS . 12.7 t-80 55.18 54.96 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.2 mtpt -34.18 -49.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.02 46.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 p -172.78 177.97 2.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.23 156.26 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 86' ' ' LEU . 2.8 m-85 -112.41 128.62 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 102' ' ' TYR . 15.3 tp -120.37 146.64 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.2 m -130.53 121.47 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.564 ' CE2' HD21 ' A' ' 100' ' ' LEU . 4.1 m-85 -105.14 132.33 51.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.2 t -45.55 -56.29 5.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -86.61 165.43 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 54' ' ' ILE . 5.0 tmm_? -85.79 -63.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 107' ' ' SER . 47.1 mm-40 -52.85 -47.1 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 106' ' ' GLU . 47.9 t -34.33 -52.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -49.43 -48.63 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' GLU . 36.0 mt -47.07 -43.16 19.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -55.89 -62.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.14 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.46 ' NE2' ' HD3' ' A' ' 132' ' ' PRO . 36.6 mt-30 -70.18 -71.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -59.94 -13.19 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -89.31 -55.36 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.24 -46.7 32.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -42.02 129.23 3.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 43.7 49.98 6.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -133.48 -45.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.481 ' O ' HG22 ' A' ' 128' ' ' ILE . 25.8 ttpp -114.8 159.31 20.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.8 m -134.23 108.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.413 HD23 ' NZ ' ' A' ' 119' ' ' LYS . 47.8 mt -57.2 148.46 52.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.341 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.86 -17.67 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.4 mmm -105.46 120.94 42.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.33 -32.21 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -99.68 158.62 31.8 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -169.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 119' ' ' LYS . 7.6 tt -94.51 133.77 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -105.42 124.42 49.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.903 HG13 ' CD1' ' A' ' 58' ' ' ILE . 16.7 t -125.3 119.73 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -145.95 154.38 50.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.46 ' HD3' ' NE2' ' A' ' 112' ' ' GLN . 53.4 Cg_endo -69.76 157.67 59.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.905 0.383 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -93.98 93.23 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.484 HD12 ' CD2' ' A' ' 102' ' ' TYR . 28.4 mt -73.57 123.47 24.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -95.5 115.44 27.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.834 ' CD1' HG13 ' A' ' 130' ' ' VAL . 5.3 mm -105.72 128.43 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.517 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . -111.38 -145.28 10.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 3.6 pp0? 34.83 38.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.052 HG23 HD12 ' A' ' 65' ' ' LEU . 16.2 mt -114.59 116.95 43.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 168.03 22.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 31.1 ptt180 -87.78 42.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.84 10.49 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.052 HD12 HG23 ' A' ' 61' ' ' ILE . 97.4 mt -100.21 178.02 4.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -139.92 166.57 24.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' HD23 ' A' ' 83' ' ' LEU . 14.3 tt0 -70.78 -30.89 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' CD ' ' A' ' 72' ' ' PRO . 26.4 mmtm -89.02 -15.82 33.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.24 -12.83 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.513 HD21 HD13 ' A' ' 65' ' ' LEU . 22.4 mt -103.42 -38.4 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 24.3 ttmt -52.35 -44.76 94.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -48.02 -58.8 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 mt -45.54 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 1.006 ' HB2' HD11 ' A' ' 80' ' ' ILE . 74.7 m-85 -49.33 -50.06 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.806 ' HG2' HD12 ' A' ' 80' ' ' ILE . 19.0 mm-40 -45.47 -21.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -74.07 -38.72 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 114' ' ' ALA . 39.0 m-85 -86.85 -43.72 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.52 143.95 14.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 82.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.006 HD11 ' HB2' ' A' ' 74' ' ' PHE . 81.3 mt -41.23 153.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 80' ' ' ILE . 29.2 t80 -115.92 -36.17 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.66 133.46 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.442 HD23 ' HG2' ' A' ' 67' ' ' GLU . 57.3 tp -126.34 145.77 50.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.0 m -149.66 108.76 3.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 87' ' ' LYS . 25.1 t -79.37 100.35 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' A' ' 99' ' ' PHE . 53.4 mt -41.42 91.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' VAL . 6.3 ptmm? -129.34 116.68 19.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.98 177.19 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -124.64 6.61 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -114.91 -73.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.8 t -118.37 -40.02 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -78.85 41.21 2.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -35.43 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.49 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 58.6 t-80 -159.04 108.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -81.75 157.92 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.58 45.17 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.0 p -175.07 175.41 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.09 169.01 25.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.453 ' CD2' HD21 ' A' ' 86' ' ' LEU . 8.6 m-85 -116.01 126.48 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.648 HD12 ' H ' ' A' ' 101' ' ' THR . 33.4 tp -118.49 150.8 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.648 ' H ' HD12 ' A' ' 100' ' ' LEU . 31.4 m -127.81 128.78 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.484 ' CD2' HD12 ' A' ' 56' ' ' LEU . 10.8 m-85 -105.71 142.55 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.96 -47.39 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -118.34 155.73 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -68.6 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -39.35 -59.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.2 m -39.63 -47.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -52.33 -42.11 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.2 -42.52 77.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.63 -60.89 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.423 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -56.05 -35.51 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 21.9 mt-30 -55.21 -54.96 36.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.0 t -78.18 -23.15 47.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.76 -20.24 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.499 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 44.3 mt -113.53 -52.06 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 67.8 t60 -46.95 115.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 53.07 45.2 29.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -126.51 -39.39 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 128' ' ' ILE . 5.6 ptpt -127.31 179.87 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.2 m -140.3 111.56 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.03 149.39 86.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 119.61 6.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 108.32 -8.09 35.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mmm -115.15 121.39 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -61.21 -34.23 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -93.32 162.16 28.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -167.22 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.51 HG21 ' HG2' ' A' ' 119' ' ' LYS . 1.4 tt -91.31 150.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.442 ' N ' HG13 ' A' ' 128' ' ' ILE . 1.4 mp0 -129.41 120.65 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.834 HG13 ' CD1' ' A' ' 58' ' ' ILE . 59.6 t -128.16 127.33 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -151.76 142.29 15.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 116.81 4.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.0 m -101.12 -56.83 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -89.59 -44.03 10.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.16 -108.33 0.85 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t 62.49 42.11 9.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 t -96.63 84.66 3.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.71 -130.6 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.16 161.34 35.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -61.69 144.15 55.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -51.38 156.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -52.59 -49.43 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.65 81.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.22 158.32 34.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.8 mt -105.49 125.05 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 14.5 ttmm -86.42 94.2 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD11 ' HB1' ' A' ' 108' ' ' ALA . 26.6 mt -74.46 121.37 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -94.69 114.3 26.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.665 HG21 HD11 ' A' ' 128' ' ' ILE . 6.1 mm -101.72 137.17 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.08 175.53 20.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.404 ' HG3' ' HE3' ' A' ' 124' ' ' MET . 13.9 tp60 72.22 42.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.699 ' CG2' HD12 ' A' ' 65' ' ' LEU . 53.3 mt -125.65 134.29 25.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 61' ' ' ILE . 54.1 Cg_endo -69.73 154.98 67.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -86.73 41.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.96 6.77 6.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.699 HD12 ' CG2' ' A' ' 61' ' ' ILE . 78.4 mt -100.14 178.9 4.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -140.13 154.89 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.631 ' CG ' HG23 ' A' ' 85' ' ' VAL . 27.0 mt-10 -58.73 -38.15 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 34.2 mtmm -73.05 -10.83 60.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.1 -20.2 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 29.9 mt -100.66 -37.76 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.623 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -55.41 -43.43 99.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.889 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.99 -63.16 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.4 mt -43.63 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.822 ' HB2' HD11 ' A' ' 80' ' ' ILE . 78.4 m-85 -49.62 -42.53 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -50.9 -37.74 45.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -64.27 -25.65 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -91.87 -44.61 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.2 160.24 26.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -80.49 74.32 7.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.822 HD11 ' HB2' ' A' ' 74' ' ' PHE . 67.5 mt -43.57 139.56 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CD2' ' HG2' ' A' ' 49' ' ' LYS . 48.5 t80 -102.69 -38.67 7.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -157.15 134.97 10.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 99' ' ' PHE . 27.7 tp -126.06 135.09 51.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 m -141.7 127.5 19.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' CG ' ' A' ' 67' ' ' GLU . 59.5 t -97.39 109.2 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.589 HD11 ' CE2' ' A' ' 99' ' ' PHE . 46.2 mt -49.52 103.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -136.13 105.13 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.422 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.3 t70 -63.55 168.96 4.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -117.77 -0.58 11.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -105.89 -71.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.2 t -127.33 -32.07 2.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.74 39.38 2.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.434 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -33.86 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.848 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' GLY . 49.4 t-80 -151.27 110.54 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.6 mttp -83.34 35.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.23 44.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' HD12 ' A' ' 86' ' ' LEU . 27.2 p -161.66 172.94 15.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.15 152.69 26.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.8 m-85 -103.7 135.26 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.402 HD13 HD13 ' A' ' 83' ' ' LEU . 24.3 tp -126.79 140.96 51.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.7 m -126.21 114.88 18.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -91.52 135.43 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.6 p -55.92 -51.18 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -97.29 132.35 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -58.57 -51.28 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -54.43 -54.93 34.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.0 t -38.97 -58.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -39.49 -50.08 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.3 mt -49.6 -46.79 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -55.8 -65.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.86 -34.81 42.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -59.27 -63.93 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -68.88 -22.84 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.29 -34.91 55.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 37.5 mt -95.37 -54.84 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' GLU . 60.2 t60 -34.88 137.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' HIS . 11.6 mm-40 34.63 37.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -125.71 -41.3 2.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 128' ' ' ILE . 20.3 mttp -114.04 142.11 46.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.6 m -127.51 109.84 12.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.93 150.41 77.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.589 0.709 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 118.29 5.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.381 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.14 -21.74 12.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.404 ' HE3' ' HG3' ' A' ' 60' ' ' GLN . 66.1 mmm -102.63 114.52 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -54.86 -34.22 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -98.2 154.21 37.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 -178.44 2.32 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.669 HG22 ' O ' ' A' ' 119' ' ' LYS . 12.7 tt -85.94 129.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -95.1 135.71 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.603 HG22 HD12 ' A' ' 58' ' ' ILE . 58.8 t -131.87 118.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.77 142.15 15.25 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.45 45.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.29 48.8 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -96.65 149.64 21.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.2 t -111.22 100.85 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 136' ' ' GLU . 1.2 pm0 -81.05 129.29 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.3 p -48.1 118.76 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -168.73 172.17 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 139.82 61.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -173.4 139.24 5.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -169.59 142.73 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 135.16 70.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 165.31 31.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 94.1 p -161.95 173.05 15.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.0 t 57.48 42.03 25.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 m 61.78 42.0 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.0 p -104.14 102.41 12.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.43 156.23 35.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 p -103.41 -46.72 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.381 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -56.31 173.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.96 -63.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -108.8 132.69 53.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.326 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 150.4 40.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 51' ' ' HIS . 9.1 m-20 -52.47 161.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' ASP . 11.7 m-70 -36.17 -36.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -141.96 151.75 42.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.0 167.36 15.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.9 mt -100.05 117.41 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.16 98.56 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.4 mt -76.19 133.41 40.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -104.73 121.34 43.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.783 HD12 HG22 ' A' ' 130' ' ' VAL . 12.0 mm -106.63 134.65 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.35 -178.27 15.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 55.85 53.28 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.616 HG23 HD12 ' A' ' 65' ' ' LEU . 18.6 mt -124.22 128.39 25.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.452 ' HD3' ' CG ' ' A' ' 124' ' ' MET . 53.8 Cg_endo -69.76 162.82 40.62 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 15.8 ttm180 -88.63 42.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -127.16 6.35 6.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 70' ' ' LEU . 51.5 mt -100.41 166.0 11.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -139.89 153.72 47.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' CG ' HG23 ' A' ' 85' ' ' VAL . 25.4 mt-10 -52.23 -37.36 54.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -79.18 -15.65 57.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.57 -1.57 32.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 65' ' ' LEU . 29.8 mt -118.09 -25.05 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.9 ttmp? -62.41 -43.05 83.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.96 -62.58 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -43.76 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' PHE . 65.6 m-85 -52.5 -60.64 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HB2' HD12 ' A' ' 80' ' ' ILE . 8.0 tp10 -39.19 -43.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -61.38 -38.08 85.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 16.8 m-85 -77.5 -44.48 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.21 164.32 26.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -80.36 82.13 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 81' ' ' TYR . 97.4 mt -40.2 162.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.592 ' N ' HG22 ' A' ' 80' ' ' ILE . 37.6 t80 -131.95 -35.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -166.73 114.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.5 tp -101.98 135.97 42.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 m -139.39 122.17 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' A' ' 67' ' ' GLU . 98.9 t -96.44 97.42 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' HB3' ' CD ' ' A' ' 95' ' ' LYS . 48.3 mt -39.03 113.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -139.98 111.79 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.03 179.57 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -127.22 9.05 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -120.35 -73.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -121.2 -36.18 3.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.19 41.34 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' GLY . 3.2 ttm -33.79 -60.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 62.5 t-80 -124.47 82.86 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' CD ' ' HB3' ' A' ' 86' ' ' LEU . 60.1 mttt -49.5 151.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.12 48.7 3.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.3 p -174.2 170.18 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.01 156.72 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -106.0 128.12 53.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.452 HD21 ' CE2' ' A' ' 102' ' ' TYR . 13.1 tp -121.5 134.39 55.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -119.38 110.56 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 6.2 m-85 -86.21 131.97 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.1 t -46.69 -55.55 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -98.37 163.31 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -83.67 -57.52 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -44.94 -56.88 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -46.24 -53.71 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -43.79 -37.44 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.24 -53.52 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.56 -50.94 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.77 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.22 -56.34 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.7 m -74.72 -8.26 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.19 -23.9 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.407 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -105.94 -48.09 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -47.51 117.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 45.6 47.09 11.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -130.59 -43.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.498 ' O ' HG22 ' A' ' 128' ' ' ILE . 19.2 ttmt -123.98 142.22 51.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.6 m -111.06 119.91 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.71 148.57 98.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.9 -17.15 13.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.452 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 70.9 mmm -110.16 125.23 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 125' ' ' ASN . 7.9 t-20 -60.92 -35.91 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -97.54 158.33 33.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -177.51 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.521 HD11 ' CG2' ' A' ' 58' ' ' ILE . 20.4 tt -90.76 131.66 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -102.74 125.15 49.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.783 HG22 HD12 ' A' ' 58' ' ' ILE . 58.0 t -126.01 115.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -143.21 142.22 21.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.713 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' ALA . 53.4 Cg_endo -69.76 111.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.3 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . -37.47 -36.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.083 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -103.34 153.39 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.6 m -173.22 116.45 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -131.12 147.21 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 138' ' ' ARG . 17.6 m -62.68 -55.29 28.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 137' ' ' SER . 5.0 ptp180 36.09 43.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -80.82 -161.88 26.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 48.65 -156.22 1.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.3 t -44.03 -48.14 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 51.23 -158.42 2.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.68 4.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 20.9 m -82.6 44.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.9 m 49.01 42.88 21.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.4 p -114.84 121.27 42.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.1 m -40.74 -56.88 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.24 159.97 8.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -99.67 130.41 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -72.9 171.65 12.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.58 133.93 7.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' LYS . 3.5 mmt -90.56 106.84 18.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -34.79 140.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -108.02 -60.43 1.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -98.69 -60.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -171.12 148.93 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -94.65 112.26 24.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -92.46 139.81 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 11.4 ttmm -93.75 85.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.728 HD11 ' HB1' ' A' ' 108' ' ' ALA . 46.5 mt -73.55 122.61 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -90.42 123.18 33.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.798 HD12 HG22 ' A' ' 130' ' ' VAL . 17.3 mm -108.82 134.37 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.424 ' C ' ' OE1' ' A' ' 60' ' ' GLN . . . -126.16 -174.5 13.88 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 59' ' ' GLY . 24.0 mp0 54.65 53.96 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.571 HG23 HD12 ' A' ' 65' ' ' LEU . 80.7 mt -134.79 127.33 18.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 151.74 69.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 40.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -119.85 0.99 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.571 HD12 HG23 ' A' ' 61' ' ' ILE . 37.5 mt -100.21 172.59 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.07 159.31 42.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.599 ' HG2' HG23 ' A' ' 85' ' ' VAL . 97.4 mt-10 -58.05 -33.29 68.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -71.7 -14.24 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.17 -15.93 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.6 mt -98.86 -40.48 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.62 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 31.9 tttp -56.28 -43.24 99.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.4 Cg_exo -47.97 -63.35 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.4 HD13 ' NZ ' ' A' ' 119' ' ' LYS . 46.7 mt -42.89 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.6 ' HB2' HD11 ' A' ' 80' ' ' ILE . 90.5 m-85 -49.01 -44.54 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HB2' HD12 ' A' ' 80' ' ' ILE . 51.5 tt0 -52.35 -32.78 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -67.88 -30.83 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -87.22 -44.18 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.96 160.4 26.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 4.1 mptt -80.17 81.23 6.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 74' ' ' PHE . 50.9 mt -44.42 142.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 81' ' ' TYR . 5.5 t80 -103.66 -34.27 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -170.74 114.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.4 tp -97.4 145.21 26.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -149.7 116.15 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.599 HG23 ' HG2' ' A' ' 67' ' ' GLU . 37.7 t -96.8 104.11 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 99' ' ' PHE . 25.7 mt -45.05 101.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -133.37 107.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.436 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.2 t70 -63.73 177.98 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -128.58 -2.14 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -106.66 -64.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.9 t -134.36 -33.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.03 39.89 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 43.3 mmm -35.23 -39.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -149.2 119.03 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' GLY . 17.7 mtpp -91.27 36.5 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 36.41 47.88 1.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 p -170.44 176.56 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.529 ' HB2' HG13 ' A' ' 85' ' ' VAL . . . -162.93 151.28 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.9 m-85 -102.7 124.48 48.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.525 HD22 ' CD1' ' A' ' 74' ' ' PHE . 20.1 tp -109.13 134.87 51.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.483 ' CG2' ' HB1' ' A' ' 53' ' ' ALA . 31.7 m -122.18 115.64 22.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 2.6 m-85 -96.21 160.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 13.4 p -82.42 -46.66 13.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -109.93 124.37 51.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -48.87 -57.48 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -42.05 -49.42 4.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.9 m -54.07 -46.28 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.728 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -53.27 -47.3 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.53 -63.47 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -40.04 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.66 -28.9 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.23 -59.86 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -78.33 -25.89 46.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.35 -14.39 61.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.406 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 32.9 mt -115.84 -44.1 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -45.48 121.62 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 42.9 34.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -117.49 -42.79 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 120' ' ' THR . 26.9 ttmt -111.85 149.86 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.439 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 28.1 m -130.18 114.91 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.14 151.2 97.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.96 -23.29 10.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.8 mmm -103.36 121.46 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.37 -35.84 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.32 153.22 39.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -176.57 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.594 HD11 ' CG2' ' A' ' 58' ' ' ILE . 18.4 tt -92.55 140.37 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -108.68 131.93 54.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.798 HG22 HD12 ' A' ' 58' ' ' ILE . 36.2 t -131.87 113.14 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.68 142.82 29.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 114.68 3.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.3 -50.02 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -144.0 107.24 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 91.4 p -116.15 43.02 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -96.15 103.08 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 33.5 p -59.12 131.12 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.5 38.46 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -99.84 -100.4 2.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.443 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 148.3 132.49 2.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.6 t -122.44 42.58 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -115.71 174.28 15.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 97.0 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 0.0 112.395 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.7 t -153.5 162.24 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -120.3 128.55 53.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -83.22 -50.99 7.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.39 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.5 p -87.34 153.18 21.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.14 86.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -77.44 -43.56 32.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.7 p -146.81 163.03 37.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.56 111.84 3.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.63 148.14 33.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' CE ' ' CZ ' ' A' ' 81' ' ' TYR . 13.1 ptpt -72.32 144.08 48.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.56 -61.7 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -121.83 -56.64 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 7.8 p30 -145.06 164.05 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -133.58 143.21 48.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.6 mt -105.01 116.96 49.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 36.6 ttpt -72.38 90.42 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 108' ' ' ALA . 43.0 mt -73.76 125.36 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.97 131.48 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.54 HD12 HG22 ' A' ' 130' ' ' VAL . 7.3 mm -115.38 137.75 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.77 179.99 16.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 59.43 54.19 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.766 ' CG2' HD12 ' A' ' 65' ' ' LEU . 65.4 mt -126.95 122.95 23.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.42 66.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 26.0 ttm180 -79.92 43.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.78 1.36 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.766 HD12 ' CG2' ' A' ' 61' ' ' ILE . 72.3 mt -100.64 167.85 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.08 151.53 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -50.21 -38.04 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 7.2 mtmp? -71.3 -24.4 62.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -93.48 -19.39 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.5 mt -93.61 -38.82 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.61 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.2 tttt -54.6 -43.63 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.554 0.692 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.2 Cg_exo -48.02 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.297 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.6 mt -42.98 -71.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.967 ' HB2' HD11 ' A' ' 80' ' ' ILE . 72.6 m-85 -49.58 -59.9 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.634 ' HG2' HD12 ' A' ' 80' ' ' ILE . 26.9 mm-40 -36.0 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' PHE . 4.5 tp10 -71.51 -51.14 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 44.0 m-85 -71.63 -43.95 65.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.75 156.32 25.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' ILE . 6.2 ttpt -80.21 78.32 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.967 HD11 ' HB2' ' A' ' 74' ' ' PHE . 76.1 mt -36.19 146.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CZ ' ' CE ' ' A' ' 49' ' ' LYS . 16.2 t80 -108.2 -35.82 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -167.84 112.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.9 tp -99.64 137.83 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.7 m -145.6 119.7 9.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.8 t -79.11 132.04 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 99' ' ' PHE . 69.1 mt -84.64 101.63 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.07 142.38 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.439 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 5.4 t0 -89.15 179.01 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -131.24 0.69 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -110.38 -67.58 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.2 t -129.17 -36.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -79.47 40.4 2.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.5 mtm -53.97 101.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.525 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 16.0 t-80 63.95 54.97 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -31.09 -64.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.05 36.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.438 ' SG ' ' CD1' ' A' ' 86' ' ' LEU . 26.5 p -151.62 175.15 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.45 156.97 33.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.53 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 4.7 m-85 -107.49 134.24 50.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.1 tp -127.09 120.85 29.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.6 m -105.33 111.23 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' HD2' HD12 ' A' ' 56' ' ' LEU . 7.2 m-85 -89.94 136.9 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 24.5 p -60.54 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -101.01 151.45 21.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -77.41 -55.18 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -50.21 -48.67 54.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.0 m -52.62 -51.85 58.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -47.39 -45.86 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.2 mt -52.63 -60.36 3.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 37.5 mttm -38.75 -62.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.29 71.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.86 -60.02 4.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -76.34 -25.41 54.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.74 -23.41 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -106.29 -44.57 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -47.39 124.52 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 43.84 33.31 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -121.38 -47.07 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -104.45 151.86 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.0 m -131.39 92.79 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.474 HD13 HD11 ' A' ' 65' ' ' LEU . 75.6 mt -41.62 150.8 0.33 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 97.59 27.91 8.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.5 mmm -140.01 112.61 7.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -52.37 -38.78 59.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -100.15 155.54 36.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -172.92 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.306 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.0 tt -97.64 130.19 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.91 138.51 33.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.54 HG22 HD12 ' A' ' 58' ' ' ILE . 74.5 t -143.14 124.63 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -156.28 152.95 24.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' ALA . 54.0 Cg_endo -69.76 104.27 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 132' ' ' PRO . . . -34.07 -46.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -134.88 147.91 49.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.5 t -174.36 174.93 2.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -102.6 143.58 32.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.8 t -126.7 -54.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -59.03 141.19 54.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.12 133.17 6.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.47 67.68 3.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.7 t -56.02 -50.92 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 112.89 146.07 9.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 144.1 52.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.378 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 95.1 p -78.27 125.25 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.1 t -127.31 125.43 40.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -114.67 42.03 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -55.72 -44.22 77.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.07 171.65 54.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 m -96.32 83.54 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -39.84 149.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.55 -39.67 90.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.5 46.2 12.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.565 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 15.1 pttp -51.79 138.37 23.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.78 170.05 2.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -41.74 -45.19 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.65 155.23 18.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -165.08 126.28 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -103.63 124.39 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HD2' ' CD1' ' A' ' 99' ' ' PHE . 7.9 ttpm? -88.76 99.81 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 56' ' ' LEU . 21.1 mt -73.74 119.42 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -91.02 125.01 35.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.716 HD12 HG22 ' A' ' 130' ' ' VAL . 14.3 mm -108.71 137.2 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.57 176.73 18.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 62.01 52.11 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.644 HG23 HD12 ' A' ' 65' ' ' LEU . 82.8 mt -127.26 126.17 24.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 154.34 67.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.36 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.44 ' HB3' ' CG ' ' A' ' 94' ' ' HIS . 6.0 ptp180 -81.27 41.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -122.59 2.41 9.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.644 HD12 HG23 ' A' ' 61' ' ' ILE . 69.9 mt -100.37 170.27 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -140.12 151.82 45.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' CG ' HG23 ' A' ' 85' ' ' VAL . 37.2 mt-10 -53.65 -34.06 57.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 42.3 mttp -71.05 -20.38 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 1.5 m-20 -102.79 -17.86 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.437 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 30.2 mt -93.95 -42.68 8.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 62.3 tttt -55.2 -43.37 99.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.96 -63.01 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.5 mt -41.86 -72.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.961 ' HB2' HD11 ' A' ' 80' ' ' ILE . 74.3 m-85 -49.13 -52.26 27.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.929 ' HG2' HD12 ' A' ' 80' ' ' ILE . 15.8 mm-40 -39.18 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.8 mt-10 -70.99 -49.83 40.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -71.81 -43.69 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.45 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.36 153.79 23.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -80.22 79.2 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.961 HD11 ' HB2' ' A' ' 74' ' ' PHE . 53.7 mt -39.8 149.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 49' ' ' LYS . 7.6 t80 -112.12 -35.74 5.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -162.7 113.07 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.3 tp -100.89 137.72 38.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.4 m -145.14 121.73 11.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.506 HG23 ' CG ' ' A' ' 67' ' ' GLU . 40.7 t -96.12 109.13 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.552 HD11 ' CE2' ' A' ' 99' ' ' PHE . 35.6 mt -53.41 104.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -139.91 128.03 22.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.419 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 2.2 t70 -73.17 -178.96 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -133.37 2.59 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.21 -63.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -131.91 -31.65 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.98 40.72 2.33 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.44 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' GLY . 15.3 ptt? -34.45 -43.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 63' ' ' ARG . 49.0 t-80 -148.69 107.12 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -67.98 -57.82 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 135.33 39.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.5 p -168.83 173.63 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.58 153.07 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 86' ' ' LEU . 3.4 m-85 -104.18 126.25 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.635 HD11 HG12 ' A' ' 80' ' ' ILE . 23.4 tp -114.5 148.46 37.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.1 m -133.26 107.34 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.45 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 3.5 m-85 -90.87 127.98 36.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 p -49.8 -46.95 51.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -102.11 161.22 13.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -85.34 -56.53 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -49.91 -47.83 52.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.7 p -52.17 -34.92 47.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.09 76.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.36 -49.09 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 6.2 mtpm? -52.59 -56.39 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.67 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 56' ' ' LEU . 25.8 mt-30 -60.95 -58.94 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 t -76.62 -21.9 54.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -78.23 -21.2 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.3 mt -109.52 -49.75 3.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -45.64 126.36 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 39.21 38.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -120.31 -44.78 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 120' ' ' THR . 11.4 ttmt -119.65 148.02 43.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.464 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 26.9 m -125.62 110.51 13.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.458 HD13 HD11 ' A' ' 65' ' ' LEU . 89.6 mt -61.04 149.89 80.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.9 6.78 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.1 -24.56 9.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.4 mmm -102.8 118.21 36.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -57.16 -32.63 66.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.71 154.79 37.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -178.9 2.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.26 . . . . 0.0 112.318 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 58' ' ' ILE . 19.8 tt -91.66 136.46 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -101.13 140.94 34.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.716 HG22 HD12 ' A' ' 58' ' ' ILE . 44.3 t -142.52 119.77 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -151.36 152.94 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.555 0.693 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.76 5.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.8 80.96 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -150.16 137.21 19.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 70.5 m -147.18 135.77 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.549 ' CD ' ' N ' ' A' ' 136' ' ' GLU . 0.2 OUTLIER -139.16 116.7 11.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.875 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 78.1 p -82.11 44.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 138' ' ' ARG . 0.3 OUTLIER -101.91 81.0 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 36.93 -122.0 0.8 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 163.71 106.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.0 t -107.37 -56.92 2.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 110.833 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 169.37 90.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 144' ' ' SER . 53.0 Cg_endo -69.84 1.07 4.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.291 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 143' ' ' PRO . 12.8 m -34.97 -49.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.0 t -129.56 132.57 46.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.498 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 m -50.39 -47.15 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 t -85.45 154.0 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.9 -41.3 1.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.3 p -63.62 -51.81 63.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -63.37 138.73 58.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.12 -92.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.443 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -104.23 174.87 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 48' ' ' MET . 2.1 mptt -127.7 145.66 50.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LYS . 1.2 m-20 -34.34 109.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -38.63 -50.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -92.22 74.75 5.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.93 169.93 17.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.4 mt -103.07 131.99 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 17.4 ttmm -90.62 88.84 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.736 HD11 ' HB1' ' A' ' 108' ' ' ALA . 66.2 mt -73.4 122.16 21.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -94.41 134.12 37.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.785 HD12 HG22 ' A' ' 130' ' ' VAL . 9.6 mm -118.12 125.07 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.31 -176.88 19.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG3' ' HE2' ' A' ' 124' ' ' MET . 5.1 tp60 54.71 52.6 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.879 HG23 HD12 ' A' ' 65' ' ' LEU . 90.3 mt -121.17 118.66 30.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.21 63.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.502 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 42.8 ttp85 -80.01 41.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -126.37 4.59 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.879 HD12 HG23 ' A' ' 61' ' ' ILE . 84.7 mt -100.68 179.84 4.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -140.77 165.79 26.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.617 ' HG2' HD23 ' A' ' 83' ' ' LEU . 3.3 tt0 -70.7 -37.97 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 46.8 mttt -80.9 -14.08 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -92.29 -20.35 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.673 HD21 HD13 ' A' ' 65' ' ' LEU . 30.0 mt -98.26 -32.05 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.627 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 71.9 tttt -58.66 -42.71 95.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.1 Cg_exo -48.01 -63.36 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.6 mt -43.91 -72.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.611 ' HB2' HD11 ' A' ' 80' ' ' ILE . 77.5 m-85 -49.55 -38.73 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.536 ' HB2' HD12 ' A' ' 80' ' ' ILE . 81.6 tt0 -59.61 -33.69 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -66.9 -26.26 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -91.77 -43.21 9.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.3 161.6 26.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.92 75.72 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 74' ' ' PHE . 71.3 mt -37.98 149.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.157 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -106.69 -45.61 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -165.95 112.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.617 HD23 ' HG2' ' A' ' 67' ' ' GLU . 42.9 tp -95.64 151.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.0 m -156.34 116.8 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.44 128.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 99' ' ' PHE . 76.8 mt -76.8 98.92 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -138.39 110.08 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -49.71 179.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -129.82 -0.15 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -111.39 -70.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -129.67 -28.0 2.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.428 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -81.22 34.29 2.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 63.1 mmm -53.13 101.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.502 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 11.4 t-80 74.21 55.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 94' ' ' HIS . 15.6 mttm -31.74 -60.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.52 36.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 86' ' ' LEU . 17.2 p -163.56 174.86 11.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.47 144.6 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 6.9 m-85 -100.32 132.66 45.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.509 HD13 HD13 ' A' ' 83' ' ' LEU . 17.5 tp -124.75 152.72 43.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.8 m -132.89 125.23 29.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.48 ' CD2' HD12 ' A' ' 56' ' ' LEU . 16.8 m-85 -99.61 141.69 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.439 ' CB ' ' HG3' ' A' ' 49' ' ' LYS . 2.7 t -44.59 -53.3 7.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -113.07 155.97 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -65.54 -61.59 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -43.79 -56.55 3.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.0 m -40.29 -59.03 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.736 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -40.15 -50.77 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -47.08 -55.18 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -41.91 -70.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.45 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.407 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 4.3 tt0 -60.1 -55.4 34.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.1 m -77.21 -28.96 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.82 -14.13 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.595 HD13 ' CE1' ' A' ' 74' ' ' PHE . 29.1 mt -112.85 -48.05 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -44.63 132.29 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 40.0 36.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.82 -41.42 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -116.5 149.04 40.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.2 m -121.52 100.25 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.452 HD22 HD11 ' A' ' 65' ' ' LEU . 56.6 mt -46.99 152.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.24 11.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.55 30.05 22.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.43 ' HE2' ' HG3' ' A' ' 60' ' ' GLN . 70.3 mmm -140.01 115.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -55.9 -38.3 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -100.14 159.07 30.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.548 0.689 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -174.53 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.525 HD11 HG21 ' A' ' 58' ' ' ILE . 18.7 tt -93.5 134.17 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -98.26 129.63 44.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.785 HG22 HD12 ' A' ' 58' ' ' ILE . 57.7 t -135.99 112.98 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.416 ' HD2' ' O ' ' A' ' 130' ' ' VAL . 22.4 mmmt -146.17 152.85 47.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.546 0.689 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.407 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.7 Cg_endo -69.79 125.92 12.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -62.81 -53.35 55.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.27 88.32 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.2 t -64.11 135.85 56.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 136' ' ' GLU . 0.1 OUTLIER -84.82 42.82 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.1 t -117.73 96.83 5.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -60.35 -44.04 95.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -147.74 -130.08 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.36 -113.81 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.478 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.4 p -82.24 159.11 23.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.78 -169.22 12.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.443 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.04 25.54 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.8 t -84.71 138.75 32.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.8 t -113.38 172.41 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.535 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.6 m -48.52 -56.76 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.8 t -70.98 118.17 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -139.41 147.7 19.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -114.84 84.27 2.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -110.26 42.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.23 89.12 1.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -154.05 127.18 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 81' ' ' TYR . 25.4 pttt -58.88 101.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -111.55 -60.93 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -65.03 -60.09 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -174.38 132.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.21 133.2 53.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.1 mt -117.22 124.11 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -73.01 98.77 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD12 ' CD1' ' A' ' 102' ' ' TYR . 40.4 mt -85.72 117.65 24.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -89.46 124.55 34.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.866 HD12 HG22 ' A' ' 130' ' ' VAL . 11.5 mm -108.9 136.93 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.61 179.29 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 127' ' ' PRO . 0.3 OUTLIER 68.3 42.42 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.749 ' CG2' HD12 ' A' ' 65' ' ' LEU . 46.4 mt -124.62 132.11 24.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 158.08 58.11 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.797 ' NE ' ' H ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -84.57 42.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -126.07 4.8 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.749 HD12 ' CG2' ' A' ' 61' ' ' ILE . 51.2 mt -100.62 175.12 5.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.31 179.4 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.9 mp0 -74.61 -43.01 57.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -73.97 -12.2 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -98.16 -13.39 20.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.8 mt -110.74 -28.32 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 18.2 tttm -55.85 -44.34 99.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.7 Cg_exo -48.0 -63.27 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' PRO . 81.7 mt -37.7 -72.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.869 ' HB2' HD11 ' A' ' 80' ' ' ILE . 44.5 m-85 -54.55 -58.47 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' CD ' ' HG2' ' A' ' 71' ' ' LYS . 9.7 mt-10 -36.52 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' PHE . 42.2 tp10 -71.79 -46.38 58.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 30.6 m-85 -80.17 -44.66 19.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.92 151.55 22.54 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.66 86.26 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 74' ' ' PHE . 70.7 mt -41.22 148.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 49' ' ' LYS . 17.6 t80 -104.55 -34.9 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -168.26 112.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.756 HD13 HD13 ' A' ' 100' ' ' LEU . 48.3 tp -98.97 144.85 27.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -151.53 124.44 8.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.35 99.35 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.81 HD11 ' CE2' ' A' ' 99' ' ' PHE . 67.9 mt -47.62 111.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -138.49 119.58 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -67.75 171.24 6.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -118.89 -2.29 10.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -104.55 -74.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -126.9 -27.97 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -79.39 42.15 2.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' GLY . 56.9 tpp -33.88 -55.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 53.5 t-80 -134.92 75.36 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.5 mtmt -35.03 -61.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.95 41.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.5 p -169.71 169.73 8.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.04 155.65 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.81 ' CE2' HD11 ' A' ' 86' ' ' LEU . 14.3 m-85 -101.19 137.99 38.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.756 HD13 HD13 ' A' ' 83' ' ' LEU . 15.4 tp -127.46 144.03 51.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.5 m -126.03 110.86 14.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.653 ' CD1' HD12 ' A' ' 56' ' ' LEU . 10.6 m-85 -85.66 132.73 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 64.6 m -61.0 -37.14 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -110.18 144.06 39.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -69.27 -58.64 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.03 -46.64 75.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 t -49.9 -56.35 10.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.606 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -42.75 -49.32 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.9 mt -48.28 -52.13 22.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -44.82 -70.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.438 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -50.67 -30.47 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -59.72 -52.79 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -82.92 -15.95 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -85.07 -15.74 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.1 mt -116.01 -44.58 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -51.46 122.1 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 45.74 31.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -117.45 -39.94 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 120' ' ' THR . 23.2 ttpp -121.99 155.39 35.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.43 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.1 m -126.54 116.68 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.448 ' CD1' HG12 ' A' ' 61' ' ' ILE . 39.7 mt -65.8 152.86 92.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.25 42.35 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.94 14.42 79.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.2 mmm -131.33 136.17 47.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -78.35 -32.53 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -100.31 153.69 37.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.681 0.753 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.488 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 53.4 Cg_endo -69.75 -179.95 3.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.6 tt -89.35 137.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -105.23 135.94 45.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.866 HG22 HD12 ' A' ' 58' ' ' ILE . 91.9 t -138.52 109.41 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -139.47 152.94 70.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.474 ' HA ' HD23 ' A' ' 56' ' ' LEU . 54.2 Cg_endo -69.75 108.3 2.05 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.448 ' CB ' ' HE3' ' A' ' 55' ' ' LYS . . . -40.81 -49.91 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -41.62 158.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.1 t -164.15 146.62 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.43 ' OE1' ' C ' ' A' ' 137' ' ' SER . 1.0 OUTLIER -164.28 143.01 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.43 ' C ' ' OE1' ' A' ' 136' ' ' GLU . 29.2 t -73.46 81.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -94.14 145.81 24.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -143.66 85.65 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -167.91 151.57 18.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.5 t -114.65 144.41 43.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -117.54 151.98 17.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 86.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 53.8 p -92.61 59.42 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 25.1 m 46.49 45.31 13.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.506 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -119.0 42.15 2.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.2 p -102.33 133.77 46.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.84 -142.28 27.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.5 p -53.22 117.15 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 m -56.74 -61.53 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.35 125.32 0.76 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.9 mtm -150.2 166.52 29.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.554 ' HG3' ' HB2' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -79.28 136.77 37.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.21 -51.27 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -94.73 162.61 13.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.92 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB2' ' HG3' ' A' ' 49' ' ' LYS . . . -68.31 141.93 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.25 117.74 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.556 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 34.9 ttpt -76.54 92.26 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.809 HD11 ' HB1' ' A' ' 108' ' ' ALA . 46.2 mt -77.43 124.53 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.95 133.72 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.589 ' CD1' HG13 ' A' ' 130' ' ' VAL . 7.1 mm -115.41 127.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.18 -174.02 15.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 54.89 54.36 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.012 HG23 HD12 ' A' ' 65' ' ' LEU . 90.0 mt -126.07 125.74 24.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 153.49 68.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' HG2' ' ND1' ' A' ' 94' ' ' HIS . 15.0 mtt85 -79.54 43.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.86 10.64 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.012 HD12 HG23 ' A' ' 61' ' ' ILE . 71.0 mt -100.82 168.54 9.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.05 155.34 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -53.06 -43.94 67.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -67.5 -21.8 65.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -97.01 3.3 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.548 HD21 HD13 ' A' ' 65' ' ' LEU . 30.9 mt -118.14 -37.96 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.619 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.4 tppp? -56.75 -43.29 99.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -47.93 -63.61 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -42.15 -72.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 1.016 ' HB2' HD11 ' A' ' 80' ' ' ILE . 79.5 m-85 -49.96 -58.93 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HG2' HD12 ' A' ' 80' ' ' ILE . 12.7 mm-40 -37.16 -28.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' PHE . 11.9 tp10 -67.91 -49.26 62.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' PHE . 77.0 m-85 -77.46 -43.57 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.43 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.42 137.4 8.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' ILE . 2.9 ttmp? -65.68 80.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.31 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.016 HD11 ' HB2' ' A' ' 74' ' ' PHE . 78.9 mt -36.86 151.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.49 ' CE2' ' HE2' ' A' ' 49' ' ' LYS . 60.0 t80 -108.51 -43.97 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -160.32 112.91 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 tp -98.9 141.13 32.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.2 m -143.96 123.74 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -83.03 131.81 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' A' ' 99' ' ' PHE . 73.0 mt -83.72 98.17 9.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 149.97 51.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.433 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 6.2 t0 -82.42 176.8 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -127.5 -8.61 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -100.32 -68.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.3 t -128.32 -31.7 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -75.03 47.14 1.89 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' GLY . 2.1 ptt? -36.5 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' GLY . 17.6 t-80 -163.97 111.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -76.93 -65.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.46 44.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.0 p -163.59 170.4 17.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.39 152.56 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.762 ' CD2' HD21 ' A' ' 86' ' ' LEU . 3.3 m-85 -101.83 132.3 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.4 tp -118.26 148.18 42.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.414 HG23 ' HB3' ' A' ' 53' ' ' ALA . 86.8 m -129.79 104.86 7.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.57 ' HD2' HD12 ' A' ' 56' ' ' LEU . 4.6 m-85 -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 72.2 m -57.9 -61.5 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.27 159.75 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -85.73 -46.38 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 107' ' ' SER . 10.4 pt-20 -67.17 -43.46 82.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 10.6 t -48.97 -54.26 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.809 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -43.43 -37.1 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.82 -47.05 87.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.66 -69.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -54.37 -33.68 59.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.09 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 33.6 m -77.4 -23.16 50.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.44 ' HA ' ' CD ' ' A' ' 118' ' ' GLN . . . -76.47 -21.04 56.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 71.6 mt -108.21 -41.99 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.591 ' CE1' ' OE1' ' A' ' 129' ' ' GLN . 61.8 t60 -56.74 124.92 20.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 40.92 35.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 113' ' ' SER . 7.9 mt-30 -122.83 -46.33 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 120' ' ' THR . 16.4 tttm -121.36 146.0 47.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 30.3 m -119.71 132.66 55.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.663 HD13 HD11 ' A' ' 65' ' ' LEU . 75.7 mt -82.78 152.86 66.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.77 -28.26 7.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.2 mmm -104.45 123.68 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -60.39 -34.61 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.456 ' HB3' ' NH1' ' A' ' 126' ' ' ARG . 13.8 mtp-105 -96.12 155.38 38.26 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.96 10.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.476 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.6 tt -87.09 140.64 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.591 ' OE1' ' CE1' ' A' ' 116' ' ' HIS . 13.3 mm100 -105.59 134.99 47.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.589 HG13 ' CD1' ' A' ' 58' ' ' ILE . 26.3 t -134.37 113.91 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -146.32 152.83 47.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.504 ' CA ' HD23 ' A' ' 56' ' ' LEU . 54.0 Cg_endo -69.79 133.52 25.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.19 102.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -95.95 161.88 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 60.7 p -170.29 177.78 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -167.06 148.63 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.4 m -115.98 163.2 16.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -66.64 150.01 49.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -106.09 -178.41 23.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -149.45 169.37 29.72 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 9.1 t -97.34 165.4 12.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.945 0.403 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -170.48 65.06 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 99.01 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.246 . . . . 0.0 112.299 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 44.3 t -62.76 105.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.8 m 53.16 42.21 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 m 44.39 41.29 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 t -43.72 109.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.22 108.04 1.75 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -44.5 140.68 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.9 t -120.47 118.45 30.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.97 45.32 8.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.79 107.32 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 152.93 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -111.27 -44.13 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -116.17 174.97 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.13 102.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB1' HG23 ' A' ' 101' ' ' THR . . . -54.93 127.3 28.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.6 mt -101.5 137.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.583 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 16.4 ttmt -90.58 90.17 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 HD23 ' A' ' 100' ' ' LEU . 68.4 mt -75.07 122.6 23.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -95.85 113.79 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.831 HD12 HG22 ' A' ' 130' ' ' VAL . 6.8 mm -106.91 133.26 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.31 -171.1 14.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 55.68 54.87 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.722 HG23 HD12 ' A' ' 65' ' ' LEU . 73.6 mt -130.43 120.49 18.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 160.36 49.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 38.7 ptt85 -85.05 42.56 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.15 4.66 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.735 HD13 HD21 ' A' ' 70' ' ' LEU . 70.0 mt -100.48 171.7 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.04 149.16 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' HG23 ' A' ' 85' ' ' VAL . 76.5 mt-10 -51.51 -41.88 61.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -72.08 -16.56 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.75 -17.48 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.735 HD21 HD13 ' A' ' 65' ' ' LEU . 30.3 mt -100.42 -33.62 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.6 ttmp? -53.76 -43.91 97.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.0 Cg_exo -47.92 -63.2 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD13 ' HZ3' ' A' ' 119' ' ' LYS . 47.7 mt -39.8 -72.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.475 ' HB2' HD11 ' A' ' 80' ' ' ILE . 84.7 m-85 -53.19 -56.23 18.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.69 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 74' ' ' PHE . 2.2 tp10 -73.48 -48.03 36.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -73.45 -44.0 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.84 158.78 26.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.24 93.15 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 61.7 mt -49.51 155.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.467 ' N ' HG22 ' A' ' 80' ' ' ILE . 12.4 t80 -120.63 -33.52 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -172.03 112.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.9 tp -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.6 m -140.9 125.92 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.436 HG23 ' CG ' ' A' ' 67' ' ' GLU . 77.3 t -96.34 97.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 99' ' ' PHE . 67.4 mt -51.18 109.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.97 122.02 15.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.4 t70 -68.75 176.34 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 ptm85 -129.7 1.63 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.71 -68.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.9 t -128.9 -38.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.44 44.5 1.96 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' GLY . 54.9 mmm -33.83 -46.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.8 t-80 -134.76 76.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' HIS . 40.7 mttm -35.86 -45.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.6 34.98 1.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.4 p -162.96 175.7 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.07 151.75 25.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 11.4 m-85 -101.74 130.87 48.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.435 HD23 HD12 ' A' ' 56' ' ' LEU . 14.8 tp -115.3 152.15 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.592 HG23 ' HB1' ' A' ' 53' ' ' ALA . 95.6 m -133.72 118.04 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -100.25 126.04 46.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.1 m -43.03 -48.72 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -106.06 148.04 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.4 mtm180 -70.22 -59.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 107' ' ' SER . 61.4 tt0 -42.42 -58.81 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 106' ' ' GLU . 5.2 t -37.8 -50.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.2 -46.25 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -51.35 -34.46 34.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -68.6 -69.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -49.92 -28.69 7.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -58.24 -70.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -66.99 -16.26 64.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -80.81 -32.16 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.7 mt -103.17 -19.08 14.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -71.68 123.36 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 43.86 42.15 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -131.65 -33.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.3 ttmt -121.09 148.36 44.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.458 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 7.0 m -127.73 98.79 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 44.4 mt -48.35 151.32 1.93 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 124.0 10.64 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.02 24.75 18.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.2 mmm -140.03 117.88 11.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -58.29 -38.01 76.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 -100.1 152.75 37.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -178.21 2.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.765 HD11 HG21 ' A' ' 58' ' ' ILE . 11.0 tt -90.48 136.04 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -107.03 130.81 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.831 HG22 HD12 ' A' ' 58' ' ' ILE . 44.5 t -126.94 113.16 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -142.09 139.79 18.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 134' ' ' ASP . 54.2 Cg_endo -69.76 129.28 17.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.474 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . -53.87 84.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 132' ' ' PRO . 1.8 m-20 -108.51 94.97 5.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 88.4 p -108.15 136.44 47.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -157.25 166.81 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 74.1 m -118.75 99.3 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -157.24 120.43 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -87.31 -150.43 18.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -139.98 -179.58 17.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 m -108.0 94.2 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -107.54 177.74 21.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.61 56.38 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 11.3 t -171.03 148.57 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.2 p -70.33 -6.53 35.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -52.42 98.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 t -141.0 172.29 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.92 109.22 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 m -109.35 176.21 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.805 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.1 p -130.75 123.8 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.35 -177.56 23.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.5 mtp -80.47 -72.13 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 146.46 39.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.82 -62.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -127.36 -41.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -173.12 142.06 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.639 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -98.43 136.51 38.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.2 mt -93.44 130.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 27.0 ttpt -86.15 88.31 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 108' ' ' ALA . 51.8 mt -74.14 127.37 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -95.29 119.95 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.623 HD12 HG22 ' A' ' 130' ' ' VAL . 12.2 mm -105.79 129.67 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.72 -172.51 14.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 55.99 43.67 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.749 0.309 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.614 HG23 HD12 ' A' ' 65' ' ' LEU . 95.8 mt -119.78 125.61 27.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.466 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.8 Cg_endo -69.74 171.2 14.87 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 3.3 mpt_? -98.34 44.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -131.45 7.79 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.652 HD13 HD21 ' A' ' 70' ' ' LEU . 78.3 mt -101.15 171.6 7.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.17 153.22 46.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' HG23 ' A' ' 85' ' ' VAL . 42.7 mt-10 -55.42 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -72.15 -18.99 61.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.07 -17.84 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 65' ' ' LEU . 30.6 mt -99.08 -28.49 13.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 66.4 tttt -55.92 -43.18 99.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.698 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 66.1 Cg_exo -48.01 -63.11 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.46 HD22 ' HE3' ' A' ' 119' ' ' LYS . 72.7 mt -41.96 -72.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 76' ' ' GLU . 67.9 m-85 -52.95 -59.96 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -40.78 -24.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' PHE . 6.3 tp10 -77.82 -45.51 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' PHE . 39.3 m-85 -76.5 -44.02 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.69 162.77 26.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.2 88.88 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 80.5 mt -41.15 138.22 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -101.94 -37.49 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 25.7 tt0 -171.58 112.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 31.3 tp -97.75 136.46 38.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.7 m -144.44 121.74 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.434 HG23 ' CG ' ' A' ' 67' ' ' GLU . 84.8 t -90.79 119.88 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.621 HD12 ' SG ' ' A' ' 97' ' ' CYS . 83.3 mt -59.62 118.77 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -132.4 119.66 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.412 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.7 t70 -66.43 -179.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -131.08 12.69 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -128.86 -71.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -124.84 -30.93 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -81.27 40.24 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 92' ' ' GLY . 13.8 mmt -33.19 -46.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.526 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 9.9 t-80 -134.96 93.23 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -63.51 169.72 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.03 45.03 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.621 ' SG ' HD12 ' A' ' 86' ' ' LEU . 23.3 p -162.35 170.3 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.26 151.27 27.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.542 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 7.1 m-85 -101.59 129.16 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.3 tp -117.33 149.79 39.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.639 ' CG2' ' HB1' ' A' ' 53' ' ' ALA . 23.6 m -132.13 119.25 20.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -100.6 126.48 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.1 p -50.63 -47.77 58.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -96.98 151.23 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -80.8 -47.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.01 -42.31 94.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.6 p -54.35 -35.69 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.7 mt -54.12 -51.53 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -54.04 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.47 60.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -57.68 -58.1 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.5 m -76.65 -18.07 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -84.6 -14.38 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.5 mt -113.95 -42.68 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -49.41 131.78 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 38.75 36.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.88 -46.73 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.46 ' HE3' HD22 ' A' ' 73' ' ' LEU . 18.8 mttm -108.92 150.16 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.0 m -128.79 91.39 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 62' ' ' PRO . 94.3 mt -41.39 152.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 134.49 28.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.382 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 80.66 26.51 53.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.4 mmm -137.55 119.65 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -61.91 -36.86 82.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -100.06 154.78 37.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.52 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 128' ' ' ILE . 16.6 tt -97.08 127.3 49.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -95.16 137.95 33.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.623 HG22 HD12 ' A' ' 58' ' ' ILE . 56.9 t -137.38 115.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -145.05 142.37 18.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.417 ' HA ' HD23 ' A' ' 56' ' ' LEU . 53.2 Cg_endo -69.82 115.3 4.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -45.6 -48.53 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.18 95.67 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.5 t -80.7 152.96 28.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.34 146.31 5.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.4 p -93.06 108.99 20.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -146.61 149.38 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.85 -84.39 0.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 137.84 84.33 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 69.5 m -51.03 -44.67 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 128.76 156.84 9.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 125.01 11.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.323 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 41.8 p -78.08 133.66 37.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.4 t -103.82 156.47 17.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -115.95 137.81 51.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -172.18 118.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.27 106.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 m -136.11 177.41 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -168.19 121.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.88 71.85 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.9 ptp -174.0 121.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HE2' ' CE2' ' A' ' 81' ' ' TYR . 16.6 ptpt -50.85 138.57 18.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -168.4 167.27 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 67.96 39.23 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' ALA . 21.1 t70 66.5 47.81 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -36.41 151.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' A' ' 105' ' ' ARG . 52.3 mt -117.54 147.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.696 ' HD2' ' HB3' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -104.8 116.17 31.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.812 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.517 HD11 ' HB1' ' A' ' 108' ' ' ALA . 20.1 mt -92.37 123.94 36.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -98.06 113.65 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.852 ' CG2' HD11 ' A' ' 128' ' ' ILE . 8.2 mm -97.53 132.56 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.53 -172.49 13.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 54.47 54.76 8.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.612 ' CG2' HD12 ' A' ' 65' ' ' LEU . 46.6 mt -131.96 133.95 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' A' ' 61' ' ' ILE . 53.9 Cg_endo -69.78 -176.8 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HA ' ' ND1' ' A' ' 94' ' ' HIS . 25.7 ptt-85 -110.97 44.84 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.98 5.28 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.612 HD12 ' CG2' ' A' ' 61' ' ' ILE . 28.7 mt -101.09 172.5 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -140.06 159.01 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' HG3' ' CG2' ' A' ' 85' ' ' VAL . 4.0 mp0 -60.75 -21.59 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -89.07 -10.83 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.28 -6.15 16.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.448 HD21 HD13 ' A' ' 65' ' ' LEU . 28.3 mt -110.08 -28.93 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.632 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 46.1 tttt -58.88 -42.68 95.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 110.917 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.9 Cg_exo -48.0 -62.61 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.4 mt -44.62 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CD1' HD22 ' A' ' 100' ' ' LEU . 74.8 m-85 -49.66 -58.92 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HB2' HD12 ' A' ' 80' ' ' ILE . 12.9 tp10 -46.21 -20.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -77.29 -42.82 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.67 -43.82 22.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.72 162.4 26.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -80.16 94.29 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 81' ' ' TYR . 70.2 mt -48.71 160.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' N ' HG22 ' A' ' 80' ' ' ILE . 4.8 t80 -122.83 -38.27 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -169.76 112.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.4 tp -98.87 132.99 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -139.32 122.1 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.688 HG12 ' HD2' ' A' ' 87' ' ' LYS . 46.8 t -83.16 130.45 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.685 HD11 ' CE2' ' A' ' 99' ' ' PHE . 85.1 mt -89.67 95.15 10.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.688 ' HD2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -140.29 164.13 30.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.14 -178.66 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HG2' ' CD1' ' A' ' 90' ' ' PHE . 8.6 ptm180 -130.09 -5.41 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CD1' ' HG2' ' A' ' 89' ' ' ARG . 93.8 m-85 -107.91 -74.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.2 t -113.42 -35.17 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -77.03 46.55 2.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 92' ' ' GLY . 16.2 ptm -30.99 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 92' ' ' GLY . 3.5 t-80 -158.41 110.76 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -67.96 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.22 47.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.6 p -171.02 167.55 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.06 155.32 33.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 86' ' ' LEU . 2.5 m-85 -105.1 126.28 51.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.514 HD22 ' CD1' ' A' ' 74' ' ' PHE . 17.4 tp -113.22 142.57 45.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.8 m -128.14 108.5 10.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.407 ' CE2' HD21 ' A' ' 100' ' ' LEU . 5.0 m-85 -90.19 123.39 33.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 3.3 m -39.55 -57.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -94.05 114.07 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.494 ' HB2' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -49.31 -42.05 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -58.45 -41.57 85.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -46.45 67.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -51.83 -36.74 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.1 mt -55.35 -35.37 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -72.42 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.69 -19.38 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.065 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -67.51 -65.64 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 t -75.19 -13.88 60.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.87 -18.84 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.0 mt -112.84 -49.35 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -41.97 128.1 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 39.92 47.19 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -130.49 -51.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.3 ttmm -116.82 141.51 48.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.1 m -116.92 130.16 56.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.88 152.39 74.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.12 6.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.329 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.3 -26.54 7.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.421 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 71.4 mmm -104.56 121.73 44.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -59.12 -33.07 70.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -99.73 153.99 37.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.852 HD11 ' CG2' ' A' ' 58' ' ' ILE . 15.3 tt -84.13 142.23 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -111.37 136.32 50.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.511 HG22 HD12 ' A' ' 58' ' ' ILE . 41.5 t -134.77 117.55 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -143.93 140.16 16.84 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 107.63 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.696 ' HB3' ' HD2' ' A' ' 55' ' ' LYS . . . -46.41 -48.87 18.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -43.42 119.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.1 m -83.26 -56.48 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -159.61 156.64 28.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 68.0 m -99.93 82.73 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -52.74 113.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -114.52 116.49 3.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 166.86 81.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 77.3 p -54.36 148.92 10.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -124.19 93.78 0.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.99 37.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 44.1 t 50.56 46.87 25.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 51.0 m 61.62 43.4 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -99.79 84.78 2.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.9 p -168.26 157.77 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.09 -139.58 4.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.8 m -108.26 95.68 5.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.377 . . . . 0.0 110.813 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 t -110.56 -53.6 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.95 109.51 0.77 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.533 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 55.1 ttp -162.94 109.28 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.9 162.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -104.49 -50.01 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -115.41 174.52 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.89 122.74 2.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.08 143.71 26.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 95.3 mt -117.2 142.66 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 38.0 ttpt -92.31 99.95 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 102' ' ' TYR . 43.9 mt -78.06 130.28 36.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' HB2' ' HB2' ' A' ' 133' ' ' ALA . 7.5 t80 -99.48 116.51 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.717 ' CG2' HD11 ' A' ' 61' ' ' ILE . 9.8 mm -103.91 128.56 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.53 -176.29 14.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 55.97 54.96 7.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.717 HD11 ' CG2' ' A' ' 58' ' ' ILE . 84.4 mt -131.84 132.86 23.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.545 ' O ' ' CE1' ' A' ' 94' ' ' HIS . 53.0 Cg_endo -69.79 -168.24 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HB3' ' ND1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -118.91 44.88 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.16 11.05 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.807 HD13 HD21 ' A' ' 70' ' ' LEU . 67.0 mt -100.33 171.98 7.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.79 157.27 46.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.9 mp0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 14.7 ptpt -77.27 -10.92 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.38 -20.54 14.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.807 HD21 HD13 ' A' ' 65' ' ' LEU . 43.1 mt -101.22 -39.21 7.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.2 ttmm -53.37 -46.02 98.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.702 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.6 Cg_exo -47.95 -55.53 3.93 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.595 HD22 ' NZ ' ' A' ' 119' ' ' LYS . 41.9 mt -45.33 -71.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 1.027 ' HB2' HD11 ' A' ' 80' ' ' ILE . 75.1 m-85 -51.27 -50.55 59.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 5.8 tt0 -40.08 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.9 tt0 -76.33 -41.59 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 74' ' ' PHE . 66.7 m-85 -78.77 -43.64 25.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.62 158.29 26.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' ILE . 38.6 tttt -80.13 75.26 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.027 HD11 ' HB2' ' A' ' 74' ' ' PHE . 80.1 mt -36.5 143.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -108.36 -34.92 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' OE1' ' C ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -160.93 135.01 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 67' ' ' GLU . 31.3 tp -123.04 131.38 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 m -138.35 126.37 22.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.402 HG21 ' OE2' ' A' ' 67' ' ' GLU . 86.7 t -90.6 102.29 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 99' ' ' PHE . 42.8 mt -56.08 92.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -135.82 138.13 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.06 179.05 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.19 4.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -116.94 -70.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -124.79 -27.72 3.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.5 40.93 2.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' GLY . 48.2 mtp -34.07 -38.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.545 ' CE1' ' O ' ' A' ' 62' ' ' PRO . 42.2 t-80 -152.66 110.07 3.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.48 ' CE ' ' HB3' ' A' ' 86' ' ' LEU . 52.8 mtmt -74.28 -56.94 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.28 40.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 24.2 p -174.89 171.42 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.91 155.11 36.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 86' ' ' LEU . 2.8 m-85 -101.39 125.48 48.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.441 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 36.7 tp -125.37 127.84 47.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.3 m -110.98 134.01 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.684 ' CD1' HD12 ' A' ' 56' ' ' LEU . 8.8 m-85 -98.95 150.82 21.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 29.0 t -68.11 -40.94 82.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.97 165.09 11.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -84.85 -53.79 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 107' ' ' SER . 7.2 pt-20 -65.02 -35.86 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 6.8 m -47.97 -48.28 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 -45.12 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.8 mt -48.48 -39.07 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -62.42 -62.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.427 ' CB ' ' OH ' ' A' ' 102' ' ' TYR . . . -62.5 -17.59 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.452 HE21 HD21 ' A' ' 56' ' ' LEU . 30.0 mt-30 -72.85 -44.97 60.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.0 m -94.93 -16.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 118' ' ' GLN . . . -78.91 -38.85 36.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.431 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 45.9 mt -90.08 -57.95 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' LEU . 49.0 t60 -35.45 128.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 39.55 46.91 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 114' ' ' ALA . 1.1 tm0? -133.99 -53.7 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.595 ' NZ ' HD22 ' A' ' 73' ' ' LEU . 15.0 ttmt -108.68 145.69 34.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.453 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 33.5 m -121.31 126.17 48.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.537 HD13 HD11 ' A' ' 65' ' ' LEU . 85.5 mt -76.53 151.95 83.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 114.75 3.81 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.25 -25.15 8.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.4 mmm -100.78 121.14 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -58.63 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -97.87 155.68 36.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 119' ' ' LYS . 16.1 tt -88.2 139.45 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -108.81 126.53 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.622 HG13 ' CD1' ' A' ' 58' ' ' ILE . 26.2 t -124.3 116.95 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 142.73 16.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 119.65 6.56 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . . . -59.77 -48.87 79.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -127.34 91.83 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.9 t -157.98 137.28 11.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -94.85 79.04 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.6 t -80.21 125.71 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -94.14 139.52 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.95 -91.83 0.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 41.38 -102.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.6 m -71.14 81.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 130.54 138.98 4.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 168.19 22.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.7 p -39.72 149.74 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -119.52 134.76 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.8 m -50.55 -48.85 57.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.8 t -57.07 -53.05 62.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.8 165.52 13.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.4 t -92.16 -51.85 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.7 m -155.78 121.59 5.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.44 -61.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.5 mtp -150.97 163.24 39.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -70.68 143.12 51.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 51' ' ' HIS . 28.9 t70 -83.43 158.35 22.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.428 ' HD1' ' C ' ' A' ' 51' ' ' HIS . 1.6 t-80 -35.43 -42.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.44 90.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.35 119.39 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.5 mt -111.45 135.0 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.554 ' HE3' ' CE1' ' A' ' 99' ' ' PHE . 30.4 ttpt -97.71 91.82 5.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.482 HD11 ' HB1' ' A' ' 108' ' ' ALA . 36.8 mt -73.9 123.22 23.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -94.82 119.43 33.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.665 HD12 HG22 ' A' ' 130' ' ' VAL . 6.0 mm -102.99 140.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.18 -179.04 16.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 60.92 54.78 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.71 ' CG2' HD12 ' A' ' 65' ' ' LEU . 38.3 mt -130.49 132.82 24.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.624 0.726 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.503 ' O ' ' CE1' ' A' ' 94' ' ' HIS . 53.6 Cg_endo -69.79 162.56 41.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.537 ' HB3' ' CG ' ' A' ' 94' ' ' HIS . 4.9 ptp180 -92.93 44.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.04 11.25 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.71 HD12 ' CG2' ' A' ' 61' ' ' ILE . 83.5 mt -100.82 176.49 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -140.15 174.22 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -75.49 -39.46 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -71.94 -19.88 61.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.79 -22.06 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 23.7 mt -95.88 -33.14 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 44.1 tttt -52.12 -44.68 93.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.95 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.456 HD22 ' HE3' ' A' ' 119' ' ' LYS . 63.9 mt -38.78 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 77' ' ' PHE . 52.2 m-85 -57.12 -58.06 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 32.7 tt0 -36.17 -30.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 74' ' ' PHE . 8.1 tp10 -72.9 -45.81 56.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 74' ' ' PHE . 12.5 m-85 -76.49 -44.53 34.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.23 148.56 20.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -70.51 89.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.727 0.299 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 71' ' ' LYS . 65.1 mt -42.75 137.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.527 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 45.9 t80 -104.88 -38.2 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -160.85 112.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.1 tp -105.76 137.65 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.0 m -143.82 122.78 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.7 95.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.599 HD21 ' CD2' ' A' ' 99' ' ' PHE . 49.0 mt -48.78 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -135.76 136.06 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.444 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.4 t0 -79.54 175.07 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -127.25 -3.74 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -105.03 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.7 t -129.2 -33.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -75.03 46.99 1.86 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 92' ' ' GLY . 7.4 mtt -33.46 -49.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.33 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.537 ' CG ' ' HB3' ' A' ' 63' ' ' ARG . 18.8 t-80 -135.0 74.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.7 mtmt -33.99 -44.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.56 45.22 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.7 p -172.76 172.78 4.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.78 148.11 18.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CD2' HD21 ' A' ' 86' ' ' LEU . 6.0 m-85 -100.08 129.39 46.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.429 HD11 HG12 ' A' ' 80' ' ' ILE . 15.2 tp -122.78 146.41 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.9 m -133.99 127.3 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.556 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 19.6 m-85 -98.7 138.31 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 23.7 m -52.29 -44.76 65.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -110.69 141.67 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -56.66 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 109' ' ' LEU . 24.9 tt0 -43.3 -52.89 5.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.2 t -39.48 -43.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -56.47 -42.76 78.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' GLU . 21.9 mt -57.18 -51.29 69.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 54.8 mttp -50.21 -63.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.55 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -68.55 -62.2 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.0 m -75.4 -1.82 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.541 ' C ' ' NE2' ' A' ' 118' ' ' GLN . . . -106.0 -19.97 13.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.462 ' N ' ' NE2' ' A' ' 118' ' ' GLN . 70.6 mt -114.81 -43.36 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -46.97 127.84 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 41.9 47.9 3.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.541 ' NE2' ' C ' ' A' ' 114' ' ' ALA . 1.4 mt-30 -134.93 -42.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.456 ' HE3' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -119.52 146.53 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 127' ' ' PRO . 8.5 m -123.83 138.19 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.7 155.08 71.06 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.17 6.99 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.21 25.27 22.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.6 mmm -140.19 111.97 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -59.42 -31.04 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 28.3 ttm180 -100.19 139.54 20.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.7 Cg_endo -69.73 162.64 41.26 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 58' ' ' ILE . 16.2 tt -64.89 125.72 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -99.0 129.61 45.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.665 HG22 HD12 ' A' ' 58' ' ' ILE . 58.3 t -126.87 109.16 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -138.59 141.11 29.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 113.96 3.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.71 -63.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -133.02 96.53 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.441 ' O ' ' CD ' ' A' ' 136' ' ' GLU . 70.7 p -118.2 107.03 13.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 135' ' ' SER . 10.3 mp0 -140.82 131.78 26.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.4 t -94.99 80.79 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -111.91 165.46 12.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -109.7 -169.56 20.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.54 98.28 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.2 t -53.66 124.4 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -59.41 -172.59 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -48.58 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.1 t 47.67 42.17 14.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 p -62.63 162.7 10.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t -121.06 168.13 11.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 t -153.15 166.83 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.71 91.35 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.1 t -61.68 -51.22 69.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.1 m -119.81 166.27 13.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.15 -62.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.4 mmt -63.61 143.25 57.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -65.07 150.64 47.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 51' ' ' HIS . 3.0 m-20 -60.11 158.54 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' ASP . 4.0 p80 -34.61 -45.78 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -132.6 115.16 15.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.72 177.26 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 105' ' ' ARG . 50.6 mt -127.9 121.54 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -83.54 92.26 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 ' CD2' ' A' ' 102' ' ' TYR . 19.0 mt -74.82 116.4 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -88.39 126.16 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 130' ' ' VAL . 11.0 mm -110.67 134.98 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.67 172.75 22.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 71.1 45.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.683 ' CG2' HD12 ' A' ' 65' ' ' LEU . 87.6 mt -127.92 132.97 24.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.143 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 61' ' ' ILE . 53.8 Cg_endo -69.79 150.2 67.7 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -80.94 41.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -123.28 2.75 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.683 HD12 ' CG2' ' A' ' 61' ' ' ILE . 52.8 mt -100.6 179.59 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.79 173.52 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CG ' HG23 ' A' ' 85' ' ' VAL . 23.8 mt-10 -69.87 -36.61 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 57.1 tttt -73.28 -15.62 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.82 -19.78 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 28.3 mt -101.46 -31.45 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.636 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 45.1 tttp -59.45 -42.03 90.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 110.931 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.7 Cg_exo -48.02 -63.04 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 mt -43.28 -72.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 76' ' ' GLU . 71.2 m-85 -53.12 -60.49 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 3.8 tp10 -40.2 -25.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' PHE . 13.3 tt0 -72.11 -47.44 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' PHE . 32.2 m-85 -73.77 -44.41 56.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.93 157.33 25.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -79.76 91.03 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' A' ' 71' ' ' LYS . 80.6 mt -44.13 154.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.114 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 49' ' ' LYS . 25.7 t80 -110.77 -36.84 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -164.02 112.74 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 100' ' ' LEU . 30.8 tp -96.97 134.62 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.0 m -145.67 111.3 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.527 HG23 ' CG ' ' A' ' 67' ' ' GLU . 73.3 t -85.24 101.06 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 99' ' ' PHE . 59.4 mt -42.59 119.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -136.47 133.1 36.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.434 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 4.3 t70 -95.31 179.4 5.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 28.6 ttm180 -124.61 8.23 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.25 -75.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 92' ' ' GLY . 9.1 t -122.36 -41.44 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.434 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.29 41.74 2.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' GLY . 4.3 mtt -35.77 -36.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -125.33 -23.21 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' GLY . 28.0 mtmm 56.6 25.08 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LYS . . . 34.6 57.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.0 p -174.97 172.43 2.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.3 23.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.612 ' CE2' HD11 ' A' ' 86' ' ' LEU . 4.1 m-85 -105.62 135.29 47.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.489 HD12 HD13 ' A' ' 83' ' ' LEU . 13.8 tp -124.17 145.5 49.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.454 HG21 ' HD2' ' A' ' 81' ' ' TYR . 47.7 m -130.14 117.04 19.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.728 ' HB2' ' HB2' ' A' ' 108' ' ' ALA . 10.6 m-85 -95.14 127.0 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 19.2 m -45.92 -59.25 2.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -91.77 106.41 18.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 106' ' ' GLU . 2.3 ppt_? -40.95 -41.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.496 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 11.3 pt-20 -66.22 -54.7 22.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.5 p -46.76 -34.41 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.728 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . . . -63.08 -37.57 87.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.16 -36.17 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.09 -67.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -51.91 -34.71 42.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -51.75 -59.09 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.4 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 2.4 t -77.4 -17.54 58.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -79.42 -25.31 42.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 74' ' ' PHE . 39.0 mt -106.91 -48.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.474 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 69.9 t60 -43.76 133.9 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' HIS . 46.5 mm-40 36.22 33.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' HIS . 1.6 mt-30 -125.78 -36.71 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.929 ' O ' HG22 ' A' ' 128' ' ' ILE . 8.3 ttmm -126.39 137.38 53.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 35.0 m -118.38 128.41 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 61' ' ' ILE . 47.3 mt -75.52 150.98 84.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.1 7.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.23 -28.27 7.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.411 ' CG ' ' HD3' ' A' ' 62' ' ' PRO . 67.6 mmm -102.78 126.55 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -63.5 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -91.08 154.13 44.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 172.97 11.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.929 HG22 ' O ' ' A' ' 119' ' ' LYS . 18.8 tt -80.56 134.07 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -99.78 131.55 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.784 HG22 HD12 ' A' ' 58' ' ' ILE . 58.9 t -138.96 112.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.474 ' HD3' ' CE1' ' A' ' 116' ' ' HIS . 20.5 mmmt -146.04 151.98 46.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.605 0.717 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 131.79 22.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.72 102.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -166.46 170.37 12.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 95.0 p -108.63 -46.12 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -85.77 171.34 11.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.9 m -84.42 109.24 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.71 -54.76 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -98.5 140.07 14.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.72 138.47 6.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.8 t -53.07 -57.41 10.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 70.48 -158.26 53.59 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 -44.83 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.24 . . . . 0.0 112.302 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 52.4 m 51.5 42.54 29.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.8 m -78.18 -49.64 13.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m -86.96 -55.6 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 p -97.02 153.88 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.04 99.75 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 m -48.44 -49.38 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 m -77.15 139.89 40.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.21 119.27 6.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -118.48 126.36 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.465 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 33.8 pttt -127.27 144.73 50.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -69.81 174.12 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.437 ' C ' ' ND1' ' A' ' 51' ' ' HIS . 1.5 t-80 -71.99 -44.08 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -82.6 97.75 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.15 167.21 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.3 mt -129.26 111.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE3' ' CG ' ' A' ' 99' ' ' PHE . 9.3 tttp -80.62 104.15 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.622 HD12 HD23 ' A' ' 100' ' ' LEU . 91.9 mt -78.04 156.19 30.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.2 119.83 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.748 HD12 HG22 ' A' ' 130' ' ' VAL . 8.8 mm -106.52 137.4 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.67 -175.61 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.708 ' O ' HD12 ' A' ' 121' ' ' LEU . 1.9 mp0 57.98 54.99 5.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.981 HG23 HD12 ' A' ' 65' ' ' LEU . 93.5 mt -126.07 124.56 24.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.492 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.6 Cg_endo -69.7 158.02 58.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.72 4.06 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.981 HD12 HG23 ' A' ' 61' ' ' ILE . 61.1 mt -101.5 171.31 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.23 158.26 44.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.572 ' CG ' HG23 ' A' ' 85' ' ' VAL . 11.2 mt-10 -58.68 -42.29 88.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 17.5 tptt -73.59 -21.54 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.94 -17.28 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.771 HD21 HD13 ' A' ' 65' ' ' LEU . 31.0 mt -101.03 -37.76 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -52.71 -44.18 94.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.9 Cg_exo -48.05 -63.34 0.32 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.646 2.23 . . . . 0.0 112.32 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.6 mt -40.31 -70.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.962 ' HB2' HD11 ' A' ' 80' ' ' ILE . 97.0 m-85 -49.79 -51.4 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' PHE . 12.4 tt0 -37.79 -35.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -70.76 -43.13 69.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' PHE . 28.7 m-85 -72.01 -45.09 62.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.5 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.7 158.61 26.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -80.66 73.0 7.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.962 HD11 ' HB2' ' A' ' 74' ' ' PHE . 71.4 mt -41.38 152.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.465 ' CE2' ' HG2' ' A' ' 49' ' ' LYS . 22.0 t80 -114.88 -34.42 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -168.44 113.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 99' ' ' PHE . 34.8 tp -99.77 144.7 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.9 m -149.86 116.71 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG23 ' CG ' ' A' ' 67' ' ' GLU . 84.0 t -89.16 114.88 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.753 HD11 ' CE2' ' A' ' 99' ' ' PHE . 84.9 mt -55.06 104.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -131.07 112.77 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.453 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 1.3 t70 -60.29 163.32 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -113.78 -1.02 14.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -105.28 -75.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -129.93 -28.22 2.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.453 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.89 41.28 2.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.5 mtt -59.94 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 95' ' ' LYS . 1.8 t-80 71.64 54.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 94' ' ' HIS . 9.8 mtmm -33.33 -64.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.39 36.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.4 p -156.17 174.85 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.11 155.92 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.753 ' CE2' HD11 ' A' ' 86' ' ' LEU . 5.4 m-85 -108.14 135.04 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.737 HD11 HG12 ' A' ' 80' ' ' ILE . 13.8 tp -122.8 139.98 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.9 m -126.62 121.24 31.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.5 ' CE1' ' HA3' ' A' ' 78' ' ' GLY . 2.0 m-85 -104.18 136.51 43.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.5 t -48.24 -60.99 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -93.25 168.18 11.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 105' ' ' ARG . 14.2 mtp-105 -84.83 -56.9 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 109' ' ' LEU . 16.6 tp10 -44.11 -55.27 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.5 p -40.75 -53.73 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.83 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 106' ' ' GLU . 34.1 mt -46.84 -43.48 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -54.73 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -55.07 -31.71 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.492 ' OE1' ' CD2' ' A' ' 56' ' ' LEU . 6.3 tt0 -54.8 -45.04 74.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.8 m -96.35 -19.42 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -79.38 -23.27 43.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.601 HD22 ' NZ ' ' A' ' 119' ' ' LYS . 62.6 mt -105.5 -45.2 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.449 ' NE2' ' OE2' ' A' ' 117' ' ' GLU . 84.4 t60 -51.85 135.04 30.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' NE2' ' A' ' 116' ' ' HIS . 59.6 mt-10 36.38 40.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -122.2 -44.14 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.601 ' NZ ' HD22 ' A' ' 115' ' ' LEU . 8.6 pttm -126.21 146.96 49.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 127' ' ' PRO . 14.9 m -117.78 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 60' ' ' GLN . 74.6 mt -74.53 154.59 87.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 123.39 10.06 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.46 27.8 31.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mmm -140.24 115.62 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -63.04 -28.89 70.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -100.09 134.98 20.49 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.406 ' HA ' HG23 ' A' ' 120' ' ' THR . 54.2 Cg_endo -69.76 160.16 50.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 58' ' ' ILE . 15.5 tt -63.42 130.64 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -104.83 146.82 28.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.748 HG22 HD12 ' A' ' 58' ' ' ILE . 24.5 t -144.6 122.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.74 152.55 48.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 102.62 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.737 2.291 . . . . 0.0 112.345 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . -43.51 -52.37 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.15 134.35 36.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 136' ' ' GLU . 47.4 t -136.9 114.56 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 135' ' ' SER . 12.8 pt-20 34.45 39.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.8 t -84.47 83.98 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -173.97 155.6 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 130.02 158.3 9.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -110.96 152.29 17.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.6 m -108.0 133.29 52.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 141.15 67.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.58 34.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.32 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.4 t -121.58 176.82 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 t -152.22 139.59 19.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -134.87 -53.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.2 m -83.95 130.7 34.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 174.84 93.07 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.6 t -133.53 152.87 51.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -59.87 -44.51 94.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.35 52.89 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -138.33 145.13 40.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 48' ' ' MET . 8.2 ptpp? -55.41 161.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.71 177.09 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -39.81 -50.24 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -113.88 124.79 53.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.03 113.71 25.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.1 mt -99.59 137.36 27.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 133' ' ' ALA . 0.4 OUTLIER -101.97 123.63 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 102' ' ' TYR . 63.3 mt -93.48 121.62 35.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.411 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -87.77 129.58 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.857 HD12 HG22 ' A' ' 130' ' ' VAL . 20.3 mm -112.71 135.5 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.38 179.47 16.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 60.2 54.99 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.711 HG23 HD12 ' A' ' 65' ' ' LEU . 71.7 mt -132.16 126.83 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 151.36 68.84 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.309 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HA ' ' CG ' ' A' ' 94' ' ' HIS . 7.5 ptp85 -79.53 43.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 64' ' ' ASN . 3.2 t30 -126.01 2.83 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.711 HD12 HG23 ' A' ' 61' ' ' ILE . 62.4 mt -100.46 173.7 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.19 153.64 46.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.543 ' CG ' HG23 ' A' ' 85' ' ' VAL . 28.0 mt-10 -51.39 -42.2 61.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 72' ' ' PRO . 38.2 tttp -64.27 -26.37 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.86 7.44 46.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.15 -37.19 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 14.3 ttpp -62.29 -43.29 84.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.0 Cg_exo -47.88 -53.12 7.06 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.3 mt -52.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 115' ' ' LEU . 80.5 m-85 -52.26 -55.31 22.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 80' ' ' ILE . 9.6 tt0 -38.1 -46.12 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.21 -39.52 79.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' PHE . 33.8 m-85 -76.54 -45.19 31.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -141.79 166.94 26.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -80.46 118.74 22.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.551 HD13 ' HG3' ' A' ' 71' ' ' LYS . 82.5 mt -92.19 136.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.431 ' CD1' ' HB2' ' A' ' 82' ' ' GLU . 22.3 t80 -101.76 -41.11 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.7 tt0 -160.32 121.24 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 100' ' ' LEU . 38.1 tp -103.65 144.26 31.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -144.67 118.89 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.543 HG23 ' CG ' ' A' ' 67' ' ' GLU . 90.8 t -92.31 97.97 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.599 HD11 ' CE2' ' A' ' 99' ' ' PHE . 78.5 mt -37.19 109.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -126.76 137.4 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.57 -27.35 61.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 89' ' ' ARG . 66.0 ttt-85 56.17 24.92 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -134.98 -73.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 t -135.04 -39.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -80.15 30.29 2.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' GLY . 8.2 ptt? -36.74 119.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 63' ' ' ARG . 7.5 t-80 70.75 54.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 94' ' ' HIS . 43.8 mttt -32.73 -64.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.0 35.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.546 ' SG ' HD12 ' A' ' 86' ' ' LEU . 11.8 p -164.76 175.52 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.03 145.74 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CE2' HD11 ' A' ' 86' ' ' LEU . 7.3 m-85 -101.96 122.0 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 83' ' ' LEU . 31.7 tp -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.0 m -119.51 112.84 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 108' ' ' ALA . 4.8 m-85 -96.52 130.08 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.83 -65.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -73.88 168.02 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -83.48 -56.34 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 109' ' ' LEU . 56.9 mt-10 -62.29 -44.79 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.4 p -39.55 -37.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . . . -68.95 -43.43 75.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' GLU . 23.3 mt -55.04 -50.74 68.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 76.1 mttt -46.36 -67.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.54 -32.95 67.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.441 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 12.3 tt0 -58.48 -63.81 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -73.6 -24.19 60.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 110' ' ' LYS . . . -72.36 -32.68 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.583 HD13 ' CE1' ' A' ' 74' ' ' PHE . 26.4 mt -96.15 -46.89 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 117' ' ' GLU . 68.3 t60 -43.82 130.3 5.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 116' ' ' HIS . 16.5 mm-40 35.66 45.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -133.69 -42.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.43 ' NZ ' HD22 ' A' ' 115' ' ' LEU . 5.1 ttpm? -115.44 156.86 24.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.0 m -138.37 119.62 14.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 65' ' ' LEU . 84.9 mt -68.18 150.64 97.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 118.93 5.98 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 117.81 -27.35 7.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mmm -100.2 122.4 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -59.63 -37.0 77.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -92.46 156.06 41.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.531 0.682 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.234 . . . . 0.0 112.351 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.433 HD11 ' CG2' ' A' ' 58' ' ' ILE . 16.3 tt -97.78 140.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -104.1 133.98 48.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.857 HG22 HD12 ' A' ' 58' ' ' ILE . 50.1 t -138.12 111.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -144.05 153.14 56.45 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.441 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.78 127.42 14.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.493 ' HB2' ' HE1' ' A' ' 99' ' ' PHE . . . -63.29 90.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -118.22 76.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.0 t -118.15 -54.91 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -87.57 152.0 22.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.0 p -127.22 84.41 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 138' ' ' ARG . 0.0 OUTLIER -57.08 -56.69 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 62.1 -131.65 45.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -172.62 88.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.3 t -71.15 -60.71 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 78.93 92.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.98 29.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.1 t -109.12 89.09 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 146' ' ' GLY . 24.8 p -107.77 140.22 41.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 145' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 m -116.68 107.22 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 p -57.29 -14.73 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.91 105.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.0 p -172.63 158.23 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.385 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -154.51 168.65 25.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.01 -144.85 4.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -73.2 170.56 14.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -56.26 143.38 34.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.22 164.85 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -40.56 -41.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -118.43 113.51 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.36 128.1 54.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.714 HD12 ' HB2' ' A' ' 105' ' ' ARG . 84.7 mt -101.58 131.69 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 133' ' ' ALA . 5.9 pttm -98.88 116.6 31.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.532 HD12 ' CD2' ' A' ' 102' ' ' TYR . 26.9 mt -81.12 131.42 35.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -101.29 111.13 23.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.843 ' CD1' HG13 ' A' ' 130' ' ' VAL . 8.8 mm -100.75 140.38 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.57 -175.33 13.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 58.21 54.92 5.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.71 ' CG2' HD12 ' A' ' 65' ' ' LEU . 59.5 mt -132.03 127.2 20.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.634 0.731 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HD2' HD13 ' A' ' 121' ' ' LEU . 54.3 Cg_endo -69.78 159.64 52.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.43 ' HB3' ' ND1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -86.54 42.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -123.71 1.43 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.71 HD12 ' CG2' ' A' ' 61' ' ' ILE . 49.5 mt -100.97 173.18 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -140.08 158.82 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CG ' HG23 ' A' ' 85' ' ' VAL . 29.4 mt-10 -58.43 -34.33 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -75.1 -12.42 60.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -108.69 -8.91 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.49 HD21 HD13 ' A' ' 65' ' ' LEU . 31.1 mt -108.55 -36.22 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.629 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 41.6 tttt -58.33 -42.91 97.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.8 Cg_exo -47.97 -63.06 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -42.32 -68.19 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 1.004 ' HB2' HD11 ' A' ' 80' ' ' ILE . 87.4 m-85 -49.8 -55.33 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -37.13 -33.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.19 -56.73 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -63.73 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.526 ' HA3' ' CE1' ' A' ' 102' ' ' TYR . . . -140.73 155.91 25.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.22 76.81 6.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 74' ' ' PHE . 70.0 mt -37.92 157.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.495 ' N ' HG22 ' A' ' 80' ' ' ILE . 5.2 t80 -121.08 -33.52 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -171.9 113.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.09 134.16 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.9 m -133.88 119.37 19.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.421 HG23 ' CG ' ' A' ' 67' ' ' GLU . 54.8 t -83.22 125.08 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 99' ' ' PHE . 64.5 mt -77.32 105.51 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.59 151.34 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.425 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 9.0 t0 -89.68 174.11 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -126.58 1.34 6.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -112.08 -71.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.5 t -127.14 -30.67 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 93' ' ' MET . . . -76.27 45.61 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 92' ' ' GLY . 20.5 ptm -33.49 -43.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.43 ' ND1' ' HB3' ' A' ' 63' ' ' ARG . 6.5 t-80 -146.42 106.43 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -68.94 -49.14 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.94 46.1 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.4 p -173.88 173.75 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.92 152.14 26.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 86' ' ' LEU . 9.8 m-85 -103.66 126.62 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.478 HD11 HG12 ' A' ' 80' ' ' ILE . 35.9 tp -113.16 149.81 33.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.1 m -126.26 107.83 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CD2' HD12 ' A' ' 56' ' ' LEU . 3.7 m-85 -92.59 123.88 36.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 63.1 m -38.75 -68.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -85.8 112.06 20.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.714 ' HB2' HD12 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -44.58 -42.88 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.461 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 37.8 tt0 -59.37 -50.46 73.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -43.57 -45.25 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.38 -40.23 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.5 mt -54.63 -32.54 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -66.2 -69.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.655 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -50.9 -32.02 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.408 ' CD ' ' HD3' ' A' ' 132' ' ' PRO . 34.1 mt-30 -46.81 -61.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.3 t -81.17 -19.96 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -75.8 -17.21 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.9 mt -113.8 -48.97 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -45.99 122.34 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 50.69 37.42 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -133.69 -39.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.96 ' O ' HG22 ' A' ' 128' ' ' ILE . 17.1 tptp -110.53 126.55 54.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.4 m -119.7 121.31 38.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.458 HD13 ' HD2' ' A' ' 62' ' ' PRO . 24.8 mt -73.63 151.21 89.18 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 114.58 3.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.352 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.07 -15.0 16.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 mmm -110.98 111.18 22.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -58.24 -26.34 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 127' ' ' PRO . 39.2 ttt85 -96.56 139.7 21.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 126' ' ' ARG . 53.9 Cg_endo -69.82 156.09 64.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.96 HG22 ' O ' ' A' ' 119' ' ' LYS . 16.2 tt -65.91 144.1 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -112.63 137.57 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.843 HG13 ' CD1' ' A' ' 58' ' ' ILE . 22.0 t -134.85 117.06 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -144.27 141.01 17.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.408 ' HD3' ' CD ' ' A' ' 112' ' ' GLN . 53.9 Cg_endo -69.77 120.62 7.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.467 ' HB3' ' HE2' ' A' ' 55' ' ' LYS . . . -60.22 -57.02 14.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -55.39 167.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 41.0 t -161.55 111.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.25 176.64 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 78.0 p -142.27 156.97 45.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.85 167.95 18.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -139.87 143.5 13.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -50.77 119.8 8.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.8 t -110.9 162.81 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -73.03 141.21 29.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 134.12 27.26 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 79.1 p -74.23 171.84 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 61.1 p -163.76 149.14 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -142.55 140.37 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.6 p 37.92 42.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -99.97 121.07 7.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 m -82.47 129.27 34.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.2 m -56.83 -54.11 50.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.49 -129.88 6.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.1 ptp -171.66 142.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -68.83 124.58 24.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -81.53 -55.74 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -107.06 160.29 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -44.7 119.58 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -72.78 137.96 46.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.401 HD11 ' HG3' ' A' ' 105' ' ' ARG . 64.3 mt -111.51 134.09 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -88.79 88.21 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 102' ' ' TYR . 51.4 mt -75.74 123.88 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.44 113.84 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.779 ' CG2' HD11 ' A' ' 128' ' ' ILE . 16.1 mm -97.95 133.23 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.49 -169.79 12.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.548 ' O ' HD12 ' A' ' 121' ' ' LEU . 79.2 mt-30 55.7 54.97 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.969 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.751 HG12 HD11 ' A' ' 121' ' ' LEU . 67.1 mt -133.02 130.66 21.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HD2' HD13 ' A' ' 121' ' ' LEU . 53.3 Cg_endo -69.86 -172.39 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.535 ' HG3' ' CG ' ' A' ' 94' ' ' HIS . 47.4 ttp85 -111.95 45.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -133.9 10.09 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.73 HD12 HG23 ' A' ' 61' ' ' ILE . 89.9 mt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -140.2 154.38 46.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' CG ' HG23 ' A' ' 85' ' ' VAL . 80.5 mt-10 -54.55 -40.04 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -72.33 -19.0 61.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.441 ' C ' ' HD2' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -91.36 -25.83 19.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD21 HD13 ' A' ' 65' ' ' LEU . 38.1 mt -91.89 -35.83 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 25.2 tttp -50.75 -44.86 85.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.56 0.695 . . . . 0.0 110.907 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 64.5 Cg_exo -47.99 -62.96 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.1 mt -38.28 -73.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 76' ' ' GLU . 52.7 m-85 -56.27 -58.2 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 74' ' ' PHE . 7.6 tt0 -35.75 -31.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' PHE . 27.2 tt0 -73.11 -50.45 22.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' PHE . 10.0 m-85 -68.49 -45.4 72.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -142.0 160.93 27.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -80.66 88.65 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 81' ' ' TYR . 48.0 mt -41.63 153.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.417 ' N ' HG22 ' A' ' 80' ' ' ILE . 15.8 t80 -113.47 -34.14 5.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -174.89 112.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.1 tp -97.78 140.17 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.8 m -148.68 110.62 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.445 HG23 ' CG ' ' A' ' 67' ' ' GLU . 91.5 t -68.2 136.12 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.565 HD21 ' CD2' ' A' ' 99' ' ' PHE . 43.0 mt -89.94 98.29 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.72 143.19 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.443 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 3.1 t70 -87.17 175.53 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -126.93 0.18 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -109.88 -65.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -133.54 -31.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -80.62 36.43 2.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 76.3 mtm -52.36 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.535 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 8.4 t-80 71.23 53.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' HIS . 23.1 mtmt -32.92 -64.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.22 42.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.1 p -159.92 173.77 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.88 153.25 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 6.1 m-85 -99.92 132.02 45.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.92 144.47 48.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.404 ' CG2' ' HB1' ' A' ' 53' ' ' ALA . 87.8 m -127.37 113.82 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.547 ' CD2' HD12 ' A' ' 56' ' ' LEU . 10.3 m-85 -87.23 132.5 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.8 m -54.34 -40.82 68.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -110.63 158.81 18.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.401 ' HG3' HD11 ' A' ' 54' ' ' ILE . 25.6 ttp180 -79.82 -44.83 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.604 ' OE2' HD12 ' A' ' 109' ' ' LEU . 19.7 tp10 -61.92 -53.74 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.8 p -42.65 -37.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -60.45 -40.32 90.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.604 HD12 ' OE2' ' A' ' 106' ' ' GLU . 32.9 mt -55.66 -51.36 67.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -53.48 -62.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -54.8 -35.95 64.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -56.74 -58.95 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.8 m -76.4 -21.05 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 111' ' ' ALA . . . -77.77 -28.28 50.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.4 mt -104.06 -52.66 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' GLU . 72.7 t60 -42.6 127.67 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' HIS . 26.5 mt-10 37.15 45.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.2 -47.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.533 ' O ' HG22 ' A' ' 128' ' ' ILE . 39.7 tttp -114.15 153.42 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.432 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 20.2 m -125.03 144.6 50.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 61' ' ' ILE . 76.7 mt -87.85 154.67 52.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 104.43 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.226 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 107.46 21.61 7.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 60' ' ' GLN . 13.5 mtp -132.9 105.08 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -45.8 -38.55 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -100.15 155.11 36.79 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.586 0.707 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.421 ' O ' ' CD ' ' A' ' 60' ' ' GLN . 54.0 Cg_endo -69.77 -167.43 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.374 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.779 HD11 ' CG2' ' A' ' 58' ' ' ILE . 14.4 tt -99.86 134.21 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -98.74 140.12 33.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 58' ' ' ILE . 45.2 t -137.59 111.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.48 29.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 130.72 19.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.507 ' CB ' ' HD2' ' A' ' 55' ' ' LYS . . . -53.62 -51.79 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.01 140.96 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 m -114.51 161.14 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -101.03 143.38 31.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 70.9 p -136.41 106.43 6.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -87.33 101.25 13.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -89.55 56.63 3.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -165.15 81.47 0.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -114.47 117.45 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 137.47 85.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 115.62 4.17 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 20.2 m -120.32 95.18 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 p -88.88 173.46 8.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.7 t -112.27 162.85 15.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 99.6 p -117.07 158.32 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.17 92.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.2 p -83.03 50.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.3 m -46.98 -42.07 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.01 -162.15 32.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 48.0 mtm -44.18 122.01 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 8.2 mtmm -85.31 50.86 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -133.61 29.17 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -81.43 95.86 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 63.95 32.69 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 176.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.472 ' CD1' ' HG2' ' A' ' 105' ' ' ARG . 24.2 mt -141.99 128.29 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' ALA . 18.2 mtmt -78.17 99.62 6.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' A' ' 108' ' ' ALA . 19.0 mt -83.28 111.71 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 2.4 t80 -90.94 122.11 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.903 ' CD1' HG13 ' A' ' 130' ' ' VAL . 7.3 mm -108.07 139.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.61 177.93 16.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 61.16 54.44 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.83 HG23 HD12 ' A' ' 65' ' ' LEU . 66.8 mt -123.92 122.6 26.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 154.27 67.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.358 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 11.6 ptp180 -80.95 41.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -129.46 7.81 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.83 HD12 HG23 ' A' ' 61' ' ' ILE . 70.9 mt -100.66 172.26 7.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.67 158.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HG3' HG23 ' A' ' 85' ' ' VAL . 31.3 mp0 -60.54 -42.43 96.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.21 -14.23 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -95.92 -16.0 22.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 65' ' ' LEU . 31.4 mt -106.52 -24.77 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -58.52 -43.9 98.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.3 Cg_exo -47.98 -63.55 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 31.2 mt -42.1 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.711 ' HB2' HD11 ' A' ' 80' ' ' ILE . 72.6 m-85 -50.92 -49.21 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 31.2 tt0 -51.99 -21.83 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -78.29 -41.28 34.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -78.69 -44.38 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.9 161.23 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -80.36 92.95 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 74' ' ' PHE . 58.9 mt -55.7 141.79 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 22.4 t80 -103.05 -37.6 7.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -167.57 114.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -100.58 141.93 32.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 66.9 m -144.58 118.62 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' A' ' 67' ' ' GLU . 47.3 t -87.76 114.59 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 99' ' ' PHE . 54.8 mt -65.29 85.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -137.73 104.98 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.423 ' HB3' ' C ' ' A' ' 92' ' ' GLY . 11.9 t0 -61.74 174.27 0.84 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.63 6.44 6.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -114.53 -61.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 92' ' ' GLY . 9.7 t -133.17 -41.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.423 ' C ' ' HB3' ' A' ' 88' ' ' ASP . . . -78.11 42.06 2.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.2 tpt -59.5 109.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LYS . 12.7 t-80 55.18 54.96 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' HIS . 25.2 mtpt -34.18 -49.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.02 46.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.9 p -172.78 177.97 2.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -157.23 156.26 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 86' ' ' LEU . 2.8 m-85 -112.41 128.62 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 102' ' ' TYR . 15.3 tp -120.37 146.64 45.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.2 m -130.53 121.47 25.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.564 ' CE2' HD21 ' A' ' 100' ' ' LEU . 4.1 m-85 -105.14 132.33 51.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.2 t -45.55 -56.29 5.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -86.61 165.43 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 54' ' ' ILE . 5.0 tmm_? -85.79 -63.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 107' ' ' SER . 47.1 mm-40 -52.85 -47.1 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 106' ' ' GLU . 47.9 t -34.33 -52.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -49.43 -48.63 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 106' ' ' GLU . 36.0 mt -47.07 -43.16 19.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -55.89 -62.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.14 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.46 ' NE2' ' HD3' ' A' ' 132' ' ' PRO . 36.6 mt-30 -70.18 -71.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -59.94 -13.19 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -89.31 -55.36 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.24 -46.7 32.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -42.02 129.23 3.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 43.7 49.98 6.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -133.48 -45.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.481 ' O ' HG22 ' A' ' 128' ' ' ILE . 25.8 ttpp -114.8 159.31 20.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.8 m -134.23 108.1 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.413 HD23 ' NZ ' ' A' ' 119' ' ' LYS . 47.8 mt -57.2 148.46 52.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.01 6.03 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.341 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.86 -17.67 22.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.4 mmm -105.46 120.94 42.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.33 -32.21 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -99.68 158.62 31.8 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -169.93 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 119' ' ' LYS . 7.6 tt -94.51 133.77 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -105.42 124.42 49.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.903 HG13 ' CD1' ' A' ' 58' ' ' ILE . 16.7 t -125.3 119.73 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -145.95 154.38 50.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.46 ' HD3' ' NE2' ' A' ' 112' ' ' GLN . 53.4 Cg_endo -69.76 157.67 59.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' LYS . . . -97.48 -173.81 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.7 t70 58.99 40.5 22.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.6 m -66.16 -57.63 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 55.2 46.89 22.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 85.2 p -72.73 133.94 44.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -156.58 118.32 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 136.47 -104.29 0.47 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 77.89 69.1 1.43 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.6 p -169.67 163.05 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.9 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 138.46 83.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -2.91 11.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 35.2 t -95.37 41.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.8 m -127.52 126.81 42.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.2 p -52.99 174.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.6 m -122.13 -61.08 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.32 149.51 12.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 t -108.38 161.09 15.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 p -121.28 147.76 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.31 103.4 0.29 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.8 ttt -144.26 138.24 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . 1.2 tmtm? -81.62 116.78 21.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.81 -43.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -80.87 176.33 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -54.46 98.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 101' ' ' THR . . . -66.5 121.64 15.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.7 mt -86.18 137.25 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -93.98 93.23 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.484 HD12 ' CD2' ' A' ' 102' ' ' TYR . 28.4 mt -73.57 123.47 24.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -95.5 115.44 27.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.834 ' CD1' HG13 ' A' ' 130' ' ' VAL . 5.3 mm -105.72 128.43 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.517 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . -111.38 -145.28 10.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 3.6 pp0? 34.83 38.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.052 HG23 HD12 ' A' ' 65' ' ' LEU . 16.2 mt -114.59 116.95 43.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 168.03 22.75 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HA ' ' CE1' ' A' ' 94' ' ' HIS . 31.1 ptt180 -87.78 42.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.84 10.49 4.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.052 HD12 HG23 ' A' ' 61' ' ' ILE . 97.4 mt -100.21 178.02 4.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -139.92 166.57 24.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' HD23 ' A' ' 83' ' ' LEU . 14.3 tt0 -70.78 -30.89 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' CD ' ' A' ' 72' ' ' PRO . 26.4 mmtm -89.02 -15.82 33.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -89.24 -12.83 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD21 HD13 ' A' ' 65' ' ' LEU . 22.4 mt -103.42 -38.4 7.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 24.3 ttmt -52.35 -44.76 94.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 71' ' ' LYS . 65.4 Cg_exo -48.02 -58.8 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 mt -45.54 -72.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 1.006 ' HB2' HD11 ' A' ' 80' ' ' ILE . 74.7 m-85 -49.33 -50.06 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.806 ' HG2' HD12 ' A' ' 80' ' ' ILE . 19.0 mm-40 -45.47 -21.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -74.07 -38.72 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 114' ' ' ALA . 39.0 m-85 -86.85 -43.72 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.52 143.95 14.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 82.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.006 HD11 ' HB2' ' A' ' 74' ' ' PHE . 81.3 mt -41.23 153.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 49' ' ' LYS . 29.2 t80 -115.92 -36.17 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.66 133.46 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.442 HD23 ' HG2' ' A' ' 67' ' ' GLU . 57.3 tp -126.34 145.77 50.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.0 m -149.66 108.76 3.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 87' ' ' LYS . 25.1 t -79.37 100.35 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' A' ' 99' ' ' PHE . 53.4 mt -41.42 91.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' VAL . 6.3 ptmm? -129.34 116.68 19.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -76.98 177.19 7.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -124.64 6.61 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -114.91 -73.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.8 t -118.37 -40.02 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' HIS . . . -78.85 41.21 2.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -35.43 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.49 ' CE1' ' HA ' ' A' ' 63' ' ' ARG . 58.6 t-80 -159.04 108.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -81.75 157.92 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.58 45.17 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.0 p -175.07 175.41 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -158.09 169.01 25.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.453 ' CD2' HD21 ' A' ' 86' ' ' LEU . 8.6 m-85 -116.01 126.48 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.648 HD12 ' H ' ' A' ' 101' ' ' THR . 33.4 tp -118.49 150.8 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.648 ' H ' HD12 ' A' ' 100' ' ' LEU . 31.4 m -127.81 128.78 45.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.484 ' CD2' HD12 ' A' ' 56' ' ' LEU . 10.8 m-85 -105.71 142.55 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.96 -47.39 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -118.34 155.73 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -68.6 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -39.35 -59.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.2 m -39.63 -47.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -52.33 -42.11 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.2 -42.52 77.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -57.63 -60.89 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.423 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . . . -56.05 -35.51 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 21.9 mt-30 -55.21 -54.96 36.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.0 t -78.18 -23.15 47.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.76 -20.24 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.499 ' CD2' ' HE3' ' A' ' 119' ' ' LYS . 44.3 mt -113.53 -52.06 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 67.8 t60 -46.95 115.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 53.07 45.2 29.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -126.51 -39.39 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 128' ' ' ILE . 5.6 ptpt -127.31 179.87 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.2 m -140.3 111.56 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.03 149.39 86.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 119.61 6.53 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 108.32 -8.09 35.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mmm -115.15 121.39 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -61.21 -34.23 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -93.32 162.16 28.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -167.22 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.51 HG21 ' HG2' ' A' ' 119' ' ' LYS . 1.4 tt -91.31 150.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.442 ' N ' HG13 ' A' ' 128' ' ' ILE . 1.4 mp0 -129.41 120.65 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.834 HG13 ' CD1' ' A' ' 58' ' ' ILE . 59.6 t -128.16 127.33 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -151.76 142.29 15.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.528 0.68 . . . . 0.0 110.944 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 116.81 4.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -41.68 97.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.08 168.69 19.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.0 t -97.63 83.64 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.26 -31.24 67.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.3 t -107.02 84.41 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.12 134.97 53.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.04 140.45 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 96.65 -177.66 33.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.6 p -167.4 125.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -146.4 84.8 0.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.46 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 91.1 p -142.26 147.38 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.9 t -125.03 171.53 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.991 . . . . . . . . 0 0 . 1 stop_ save_