data_1x48_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 1x48 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.821 0.343 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' TYR . 18.0 mm -33.78 -40.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.19 -30.44 9.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 69' ' ' TYR . 15.2 mt -39.23 -58.03 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' PHE . 30.7 t -51.4 -62.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' VAL . 19.6 m-80 -35.9 -51.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.8 p -75.24 -30.62 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 12' ' ' VAL . 8.1 t80 -61.42 -54.44 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -57.02 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -49.45 -48.16 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -56.13 -43.41 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -92.44 21.95 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt 39.56 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.4 mt -95.13 174.85 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.72 117.41 30.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -106.03 132.22 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -130.43 150.71 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.49 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 75.3 m-85 -126.46 105.7 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -88.64 136.75 32.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.406 ' C ' HG13 ' A' ' 39' ' ' ILE . 28.3 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 38' ' ' PHE . 11.5 mt -138.36 136.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.41 ' HB2' ' N ' ' A' ' 61' ' ' LYS . 35.0 m -134.95 118.08 16.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -101.51 124.88 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.476 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 5.8 p -89.68 117.16 28.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -118.12 126.55 52.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.422 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm -103.34 102.49 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.92 52.16 39.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.44 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 62.55 25.25 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.436 HG23 ' CE1' ' A' ' 49' ' ' TYR . 70.8 m -124.43 129.72 51.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.8 ttm -74.28 115.86 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.436 ' CE1' HG23 ' A' ' 47' ' ' THR . 11.3 m-85 -110.54 -61.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -131.29 160.56 23.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.8 m -142.32 114.01 7.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.02 146.61 17.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.7 p -144.58 124.76 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.393 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.44 -175.27 23.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.79 -22.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -134.3 145.78 49.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -43.99 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.53 -65.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -72.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 18.8 ttpp -38.11 -45.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.3 mt -45.88 -48.32 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.57 -51.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -55.1 -55.68 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 46.3 tttm -37.33 -46.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -69.46 -46.02 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.68 -36.23 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CE1' HD13 ' A' ' 11' ' ' LEU . 64.2 t80 -58.81 -68.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -48.01 -37.81 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -58.1 -36.05 72.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 15' ' ' PHE . 16.7 mt -73.37 -46.15 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 69' ' ' TYR . 25.5 mt -56.14 -31.63 63.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.466 HG22 ' CB ' ' A' ' 62' ' ' GLN . 16.5 mm -36.14 -41.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.15 -21.44 32.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 69' ' ' TYR . 31.0 mt -55.91 -53.13 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.404 HG12 ' CB ' ' A' ' 65' ' ' ALA . 12.9 p -67.24 -29.19 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -65.25 -33.95 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -91.88 -46.43 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 14.0 t80 -48.28 -46.54 36.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -60.73 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -49.5 -53.88 20.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -52.02 -37.58 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 25.1 mttm -93.08 22.35 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 43.39 35.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.58 173.05 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -121.42 111.97 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 1.7 p -109.11 122.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.79 160.63 25.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -128.82 109.53 11.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -90.03 136.32 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 57' ' ' LYS . 11.3 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 mt -142.16 128.05 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.3 t -125.99 155.36 41.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -134.55 135.77 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 23.5 p -104.07 118.84 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -119.67 128.04 53.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' CD1' HG21 ' A' ' 23' ' ' VAL . 2.9 mm -102.37 102.69 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.33 49.12 73.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 66.32 25.18 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.4 m -124.48 127.43 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.31 117.49 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -112.83 -57.32 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.71 165.43 26.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.5 m -143.44 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.93 153.71 18.69 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -152.13 130.61 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.67 -167.54 25.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 m -88.99 -13.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -134.05 141.01 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.473 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 10.9 mmmt -47.24 -56.29 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -51.4 -45.57 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.93 -49.99 73.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.29 -68.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 26.1 ttpt -35.04 -45.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.466 ' CB ' HG22 ' A' ' 9' ' ' ILE . 28.0 mt-30 -61.11 -72.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 7.6 mt -37.11 -48.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -37.3 -44.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -65.55 -47.37 76.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' ALA . 59.5 tttt -34.47 -56.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.76 -42.89 85.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.75 -60.99 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 11' ' ' LEU . 72.1 t80 -44.03 -51.8 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -49.9 -50.74 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -50.42 -53.34 30.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 mt -47.19 -45.64 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.83 -38.8 89.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.862 0.363 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' TYR . 20.3 mm -34.04 -39.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.79 -30.49 8.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 69' ' ' TYR . 19.4 mt -40.8 -55.97 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' PHE . 96.5 t -53.47 -61.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 12.7 m-80 -34.36 -53.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m -75.85 -32.96 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 72' ' ' LEU . 10.1 t80 -57.22 -48.35 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -64.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.25 -50.34 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -56.1 -36.19 67.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -95.27 17.54 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm 48.14 32.99 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.72 172.75 7.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -114.47 117.1 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 p -107.22 129.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -132.3 164.07 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.553 ' CD2' ' HG3' ' A' ' 61' ' ' LYS . 65.9 m-85 -133.05 115.41 15.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -89.4 119.59 29.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 10.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 17.1 mm -133.86 121.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.6 m -117.4 122.55 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -103.65 107.9 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.18 105.17 10.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -109.49 137.89 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mm -110.01 106.8 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.71 43.41 99.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 71.08 26.87 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.6 m -123.84 134.99 53.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -78.56 121.57 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.04 -60.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.03 154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 t -135.56 159.13 42.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.56 150.99 19.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' CD1' ' A' ' 39' ' ' ILE . 96.0 p -132.94 131.59 41.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.3 177.36 38.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.4 m -64.63 -44.11 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.2 m -112.71 148.94 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 48.1 tttm -43.15 -60.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -39.03 -64.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.69 -44.07 3.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -66.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 29.7 tttt -41.38 -48.35 3.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.444 ' CB ' HG22 ' A' ' 9' ' ' ILE . 24.8 mt-30 -50.67 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.9 mt -43.78 -48.81 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.14 -48.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -61.04 -48.83 79.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' ALA . 48.0 tttt -36.95 -67.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -55.13 -45.43 75.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.6 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.559 ' CE2' HD13 ' A' ' 11' ' ' LEU . 11.3 t80 -53.35 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -38.2 -47.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -51.96 -51.3 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -60.96 -45.98 92.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.2 mt -49.92 -30.18 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.0 mm -34.33 -39.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.87 -28.18 12.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 69' ' ' TYR . 17.6 mt -46.1 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' PHE . 39.0 t -48.06 -59.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' VAL . 43.6 m-20 -34.84 -56.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -73.94 -30.38 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CZ ' ' HE3' ' A' ' 19' ' ' LYS . 13.0 t80 -57.29 -51.9 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -62.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -46.86 -55.23 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -52.68 -40.87 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HE3' ' CZ ' ' A' ' 15' ' ' PHE . 39.4 mttt -89.56 20.26 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 43.56 35.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 mt -96.29 174.24 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -113.54 118.67 35.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 1.9 p -114.98 126.39 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.65 152.56 45.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.512 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 66.6 m-85 -124.59 99.89 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -88.34 138.99 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' NE2' ' HE3' ' A' ' 57' ' ' LYS . 2.1 mp0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 57' ' ' LYS . 12.8 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.78 0.324 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.3 mt -114.01 118.72 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -109.18 153.05 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -136.61 121.87 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.1 t -87.89 115.57 25.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.81 128.6 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mt -119.02 119.33 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.78 44.18 98.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 62.92 25.02 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.9 m -124.43 139.38 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -83.31 130.82 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.549 ' CE2' HD22 ' A' ' 72' ' ' LEU . 28.4 m-85 -121.79 -59.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.92 161.51 25.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.59 150.02 19.26 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 p -142.25 116.76 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.19 -172.57 19.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -85.01 -18.7 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -130.1 132.22 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 29.2 tttt -37.31 -50.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -52.87 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -40.23 -50.89 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -58.76 -68.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.512 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 24.0 ttpt -34.63 -61.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -38.87 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 mt -42.51 -43.39 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.91 -39.4 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -66.41 -52.68 44.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -38.49 -59.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.78 -35.43 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -65.06 -61.23 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 41.9 t80 -36.11 -63.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.74 -31.79 66.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ALA . 14.1 tppt? -72.08 -27.35 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.549 HD22 ' CE2' ' A' ' 49' ' ' TYR . 12.0 mt -79.61 -38.73 33.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.12 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.4 mm -33.92 -41.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.22 -32.23 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 69' ' ' TYR . 13.2 mt -34.41 -46.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ASN . 46.7 t -65.92 -60.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' VAL . 20.6 m-80 -35.68 -39.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 m -87.27 -41.21 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CD1' ' CD1' ' A' ' 72' ' ' LEU . 5.9 t80 -49.97 -39.21 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.31 -69.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.53 -50.78 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 3.1 mptt -56.72 -38.36 72.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 13.1 mptt -95.15 20.38 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 16.7 pttm 43.67 40.41 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.82 175.74 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 m -121.67 120.3 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 p -103.46 141.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -130.88 142.11 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -123.84 99.18 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.21 135.1 34.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 23.4 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.809 0.338 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.0 mm -129.81 129.61 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 m -121.29 149.11 43.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 117.65 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.4 t -95.69 107.13 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -110.29 140.34 44.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.448 HG13 ' CD2' ' A' ' 49' ' ' TYR . 3.7 mm -113.65 104.18 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.77 50.62 46.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 61.76 25.3 15.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.0 m -124.35 132.27 53.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 ttt -70.96 120.17 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.448 ' CD2' HG13 ' A' ' 44' ' ' ILE . 5.1 m-85 -114.39 -61.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.96 142.1 11.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -120.69 115.99 24.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.128 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.6 145.4 17.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -140.94 142.14 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 -168.37 35.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -94.06 -22.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' LYS . 1.7 m -125.38 138.09 54.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 25.3 mtpp -36.7 -58.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -42.38 -63.04 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -38.79 -60.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -61.19 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -42.63 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' ALA . 8.5 mm100 -82.93 -70.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' ALA . 7.3 mt -47.76 -46.74 30.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -36.12 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -83.48 -48.21 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' LEU . 42.8 tttm -37.33 -43.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.17 -46.79 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.37 -52.89 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.554 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 28.5 t80 -46.67 -44.99 19.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.79 -43.79 97.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -33.97 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.582 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 13.8 mt -73.92 -51.14 17.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.22 -28.92 12.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.9 mttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.492 ' CE1' ' HE2' ' A' ' 66' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 8' ' ' TYR . 20.3 mm -33.96 -35.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -94.11 -34.57 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.422 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' TYR . 18.5 mt -38.69 -45.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.13 -59.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -39.31 -52.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 18.2 m -71.21 -60.99 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' SER . 41.7 t80 -36.5 -57.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.05 -65.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -51.8 -47.86 64.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -54.65 -38.34 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -92.21 18.09 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 49.12 31.05 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.1 173.67 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -117.58 120.56 38.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -103.53 131.44 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -127.02 153.22 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -132.05 101.0 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -89.43 137.86 31.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mm -129.81 147.46 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.72 105.99 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -93.26 114.13 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -83.86 113.38 20.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 47' ' ' THR . 13.3 mmmt -113.32 118.57 34.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.444 ' HB ' ' CE2' ' A' ' 49' ' ' TYR . 3.4 mm -94.29 105.59 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.84 44.46 92.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 71.79 25.43 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.935 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.405 ' C ' ' HD2' ' A' ' 43' ' ' LYS . 30.4 m -124.38 113.97 18.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -65.5 109.75 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.444 ' CE2' ' HB ' ' A' ' 44' ' ' ILE . 12.3 m-85 -104.56 -56.97 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.37 166.17 30.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -141.97 156.23 45.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.06 160.43 23.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 96.6 p -145.74 134.96 22.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.72 153.46 23.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -48.79 -24.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.121 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -127.17 144.89 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -39.62 -64.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLU . 2.4 tp-100 -38.99 -66.14 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' GLN . 10.6 tp10 -34.47 -47.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -71.43 -69.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -38.7 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 60' ' ' ALA . 28.2 mt-30 -70.83 -70.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.8 -35.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.49 -44.69 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.492 ' HE2' ' CE1' ' A' ' 8' ' ' TYR . 36.2 tttm -42.87 -64.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -59.35 -46.05 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.03 -45.19 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' A' ' 73' ' ' LEU . 43.3 t80 -61.12 -59.62 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -42.87 -43.12 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -59.2 -54.3 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.57 -39.63 61.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 69' ' ' TYR . 74.6 mt -60.0 -29.16 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.46 HG23 ' CB ' ' A' ' 62' ' ' GLN . 32.2 mm -34.47 -39.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.37 -26.98 14.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' TYR . 15.4 mt -46.65 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -43.01 -58.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -39.63 -51.76 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' PHE . 64.3 m -73.31 -62.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 6.8 t80 -33.77 -51.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.96 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -50.23 -49.42 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' CE ' ' HB3' ' A' ' 14' ' ' SER . 30.4 mttm -53.63 -39.47 65.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mptt -91.84 19.82 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm 45.86 37.71 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.2 mt -97.72 175.06 6.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.59 118.35 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 p -102.57 130.39 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -125.97 148.36 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.69 110.36 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.36 138.16 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.821 0.343 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -122.2 127.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.04 124.43 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -106.33 129.12 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 15.1 p -96.88 119.41 35.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -122.71 139.68 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.498 HG13 ' CD2' ' A' ' 49' ' ' TYR . 3.7 mm -121.61 105.68 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 46' ' ' GLN . . . 66.39 64.7 3.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 20.0 pt20 47.26 25.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -125.27 141.46 52.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -81.57 125.14 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.7 m-85 -115.33 -60.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.38 165.95 26.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.5 m -144.02 113.79 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 111.136 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.75 146.16 16.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.3 p -140.93 122.22 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.99 -178.43 24.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.7 m -79.56 -18.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -132.39 141.51 48.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -42.67 -45.53 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -60.01 -47.12 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -55.12 -48.18 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -69.6 -71.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 60' ' ' ALA . 18.7 ttpp -34.6 -46.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' CB ' HG23 ' A' ' 9' ' ' ILE . 10.3 mt-30 -57.25 -72.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 64' ' ' ALA . 10.1 mt -39.1 -53.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.97 -58.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.97 -53.6 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -43.86 -49.14 8.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -63.24 -55.66 23.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.86 -42.81 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.45 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 34.4 t80 -55.63 -60.57 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -40.66 -54.88 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -52.12 -52.21 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.33 -47.36 47.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 10.0 mt -55.78 -34.32 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.486 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.9 mm -34.65 -40.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.94 -27.7 18.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 8' ' ' TYR . 20.9 mt -46.53 -61.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' ASN . 38.4 t -43.78 -61.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 6.4 m-80 -34.61 -72.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 5.5 m -55.92 -56.15 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CD1' ' HD3' ' A' ' 19' ' ' LYS . 7.8 t80 -35.68 -63.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.35 -61.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -48.61 -50.21 33.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -53.52 -37.48 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 8.3 mptt -94.26 22.18 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 10.3 ptpt 44.19 32.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.47 176.34 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.25 139.4 52.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 1.3 p -123.37 129.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -121.42 149.51 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -124.85 97.89 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -84.89 138.96 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.808 0.337 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.96 130.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 t -120.5 116.07 24.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -101.66 130.99 48.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.4 t -102.43 112.08 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -111.15 133.81 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -101.61 101.77 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.09 49.28 76.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 68.95 25.43 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 m -123.36 131.98 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 ttt -76.29 114.01 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.36 -60.85 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.54 148.53 20.16 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.8 m -125.93 112.83 16.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.93 147.6 18.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 p -136.75 139.3 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.01 161.77 34.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 56' ' ' THR . 33.5 m -63.66 -26.91 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.458 ' N ' HG22 ' A' ' 55' ' ' VAL . 2.2 m -120.32 144.52 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -45.25 -61.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' GLU . 34.5 tt0 -42.99 -67.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLN . 25.7 tt0 -36.56 -50.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -65.17 -72.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.2 ttpt -36.87 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' ALA . 31.6 mt-30 -70.94 -67.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -47.81 -48.28 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.02 -37.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.66 -47.82 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -39.22 -60.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -59.27 -52.39 65.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.34 -42.04 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.478 ' CD2' HD11 ' A' ' 73' ' ' LEU . 78.6 t80 -60.63 -50.49 73.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -53.78 -45.23 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -52.65 -46.54 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.49 -48.21 82.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.478 HD11 ' CD2' ' A' ' 69' ' ' TYR . 15.3 mt -54.92 -30.7 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.81 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.456 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 8' ' ' TYR . 20.3 mm -34.06 -41.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.01 -29.88 9.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 8' ' ' TYR . 18.7 mt -39.67 -57.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 29.3 t -50.68 -63.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.5 m-80 -34.55 -66.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' PHE . 12.1 t -57.22 -57.43 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' SER . 13.5 t80 -34.55 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.89 -65.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -45.69 -52.45 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -51.29 -40.11 58.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -93.65 23.14 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 40.38 39.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.58 170.06 9.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -109.93 114.65 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG22 ' CD1' ' A' ' 44' ' ' ILE . 1.9 p -109.13 131.76 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -128.64 161.04 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 94.7 m-85 -132.29 103.62 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.74 137.26 32.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 40' ' ' CYS . 36.8 mt -140.39 144.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' N ' HG22 ' A' ' 39' ' ' ILE . 2.8 t -141.39 116.18 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.64 121.85 41.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -91.6 115.11 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -112.63 146.78 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.445 ' CD1' HG22 ' A' ' 23' ' ' VAL . 3.2 mm -122.68 102.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.69 43.43 75.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 68.45 26.42 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -124.36 135.3 53.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -77.0 123.78 26.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -118.03 -61.18 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.43 170.72 31.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -149.65 162.96 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -131.72 156.02 21.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.4 p -140.71 128.05 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.1 -176.38 35.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.88 -33.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.2 m -120.63 135.68 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' THR . 37.1 ttpt -37.56 -56.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -43.49 -60.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -44.83 -39.16 5.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.92 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.557 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 29.6 tttm -45.25 -39.73 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -56.2 -65.16 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.84 -42.76 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.25 -27.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -79.29 -53.08 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 27.7 tttt -36.24 -51.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.3 -47.57 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.27 -32.4 37.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.489 ' CD2' HD13 ' A' ' 73' ' ' LEU . 47.5 t80 -66.07 -55.48 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.97 -43.54 70.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -52.8 -35.34 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -75.71 -47.65 25.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.489 HD13 ' CD2' ' A' ' 69' ' ' TYR . 47.0 mt -53.2 -27.71 23.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.475 HG21 ' CB ' ' A' ' 62' ' ' GLN . 17.5 mm -33.28 -43.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.8 -30.41 15.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.533 HD12 ' CE2' ' A' ' 69' ' ' TYR . 26.7 mt -43.59 -33.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -77.59 -65.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -41.89 -26.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -95.68 -46.02 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -55.15 -45.92 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -61.49 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -51.87 -46.69 64.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -57.71 -32.23 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -98.64 20.42 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.5 35.32 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.06 175.35 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -103.86 130.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -126.01 159.27 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.17 101.96 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.26 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.11 144.45 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 60' ' ' ALA . 8.6 p -145.11 135.55 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -119.84 107.91 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.83 112.79 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -122.58 129.51 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -119.92 112.41 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.12 46.02 89.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 62.18 25.02 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 m -124.58 131.25 53.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 ttt -77.69 129.79 35.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.477 ' CE2' HD22 ' A' ' 72' ' ' LEU . 31.2 m-85 -121.57 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.58 158.93 24.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -144.49 118.15 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.97 159.94 13.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.6 p -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.34 173.38 28.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.8 m -61.84 -41.17 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 57' ' ' LYS . 6.7 m -112.47 146.63 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' N ' HG23 ' A' ' 56' ' ' THR . 29.4 tttt -41.18 -53.01 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' GLU . 13.0 mt-30 -45.4 -65.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 3.0 tp10 -38.57 -43.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' SG ' ' A' ' 40' ' ' CYS . . . -74.92 -71.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -42.67 -23.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.475 ' CB ' HG21 ' A' ' 9' ' ' ILE . 11.0 mt-30 -78.46 -72.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.9 mt -41.61 -50.57 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.13 -56.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -53.47 -54.79 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' ALA . 80.5 tttt -36.48 -61.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.25 -39.99 76.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.66 -58.04 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE2' HD12 ' A' ' 11' ' ' LEU . 17.5 t80 -41.88 -65.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -53.55 -26.59 21.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.8 tmtp? -81.15 -27.67 35.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.477 HD22 ' CE2' ' A' ' 49' ' ' TYR . 12.0 mt -86.19 -24.22 26.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.01 -36.57 83.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tptt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.842 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' TYR . 21.0 mm -34.71 -38.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.82 -26.92 13.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' TYR . 26.9 mt -46.83 -52.11 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 25.6 t -56.68 -59.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 5.1 m-80 -34.69 -55.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -70.01 -47.5 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CE1' ' HD3' ' A' ' 19' ' ' LYS . 6.1 t80 -41.69 -67.64 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.01 -60.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -50.67 -47.2 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -56.57 -37.79 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.553 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 6.5 mptt -95.17 20.74 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 46.48 33.39 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mt -96.71 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.26 124.76 52.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.441 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 3.0 p -111.01 125.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.59 153.17 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -126.77 101.47 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -96.46 127.5 42.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.88 0.371 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 mt -112.72 135.14 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.2 t -131.7 114.01 14.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -102.37 118.59 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -87.02 114.92 24.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -112.4 123.07 49.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm -98.38 109.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.46 50.89 62.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 64.19 25.63 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -124.06 132.78 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.404 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 5.0 ttt -79.11 113.46 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 11.6 m-85 -106.19 -60.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.44 164.12 29.71 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -144.15 161.42 38.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 111.207 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.39 26.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -150.8 131.69 14.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.83 173.44 35.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -63.4 -30.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -120.53 145.32 47.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -42.11 -62.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLU . 21.6 tt0 -41.31 -60.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' GLN . 11.3 tt0 -35.11 -50.41 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -60.85 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -44.2 -24.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -80.05 -68.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 6.0 mt -45.44 -48.82 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.65 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -74.68 -45.58 43.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 44.1 tttt -41.64 -49.48 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.89 -55.41 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.469 ' CE2' HD12 ' A' ' 11' ' ' LEU . 21.7 t80 -52.81 -59.87 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -43.73 -49.16 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.404 ' NZ ' ' O ' ' A' ' 48' ' ' MET . 39.5 tttt -56.06 -40.08 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.7 -43.72 83.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.437 HD12 ' CD2' ' A' ' 69' ' ' TYR . 22.2 mt -60.57 -29.76 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.465 HG23 ' CG ' ' A' ' 62' ' ' GLN . 18.5 mm -37.46 -38.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.74 -28.79 11.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' TYR . 19.7 mt -45.08 -63.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 45.7 t -41.02 -62.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 10.8 m-80 -35.01 -60.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' PHE . 21.8 m -63.26 -62.12 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 72' ' ' LEU . 4.5 t80 -33.88 -54.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.52 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -49.14 -48.29 44.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -55.22 -39.1 69.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.537 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -93.19 18.28 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt 49.12 30.06 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.3 mt -92.12 174.95 7.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.06 136.64 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -118.86 126.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -116.57 126.44 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -113.27 100.33 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -95.92 123.99 39.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.5 mt -132.56 121.33 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 t -106.25 157.57 17.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.459 ' HD3' ' CG2' ' A' ' 51' ' ' THR . 45.7 mmtt -129.97 123.37 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.5 t -99.63 103.74 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -111.81 126.55 55.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.459 HG13 ' CD2' ' A' ' 49' ' ' TYR . 5.5 mm -104.27 105.7 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.93 49.25 49.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 63.42 24.98 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -125.92 135.77 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 tpt -74.94 113.8 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.459 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.6 m-85 -104.9 -62.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.87 161.22 24.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.459 ' CG2' ' HD3' ' A' ' 41' ' ' LYS . 29.6 m -131.71 126.95 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.175 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.31 139.96 14.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -139.13 120.98 15.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.07 -173.78 29.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 m -95.56 -21.78 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -118.41 137.46 53.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -41.29 -60.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -49.87 -56.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -41.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -58.91 -67.2 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -38.63 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' CG ' HG23 ' A' ' 9' ' ' ILE . 15.8 mt-30 -78.15 -65.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' LYS . 10.6 mt -44.89 -47.59 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.94 -40.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.35 -46.73 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' LEU . 3.0 ttmp? -45.45 -34.41 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -81.17 -42.14 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.26 94.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -50.54 -55.11 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -50.02 -48.92 52.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -48.6 -39.08 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 15' ' ' PHE . 15.2 mt -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.5 mt -49.01 -28.58 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.855 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.461 HG23 ' CB ' ' A' ' 62' ' ' GLN . 17.9 mm -33.36 -41.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.06 -26.99 12.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 8' ' ' TYR . 21.2 mt -46.77 -48.34 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 69' ' ' TYR . 90.1 t -57.79 -60.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.3 m-80 -34.42 -48.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -77.77 -40.66 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CD2' HD12 ' A' ' 72' ' ' LEU . 10.1 t80 -47.91 -62.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.04 -59.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -48.33 -55.0 11.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -52.16 -36.86 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 35.1 mttm -96.29 23.47 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt 40.37 32.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 mt -92.41 175.15 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 m -118.37 119.77 35.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.83 134.24 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -130.35 141.87 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -120.52 99.34 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.93 142.94 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 10.3 mm -143.52 112.54 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.0 m -103.97 147.69 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.4 118.47 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.7 t -94.1 112.13 23.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.09 138.56 50.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.525 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.5 mm -111.03 111.62 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.72 39.42 97.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 71.9 25.4 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.1 m -124.42 142.4 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -78.26 123.36 26.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 13.5 m-85 -121.2 -58.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.83 137.38 8.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.1 m -118.21 119.95 36.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.191 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.81 148.11 16.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.423 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 1.5 t -136.37 141.59 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.53 165.9 37.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.38 -30.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.958 0.408 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m -120.91 136.14 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -38.74 -53.0 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' GLU . 9.6 tp-100 -44.76 -67.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLN . 4.7 tp10 -37.12 -60.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -57.76 -66.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.9 tptm -34.27 -43.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.461 ' CB ' HG23 ' A' ' 9' ' ' ILE . 20.1 mt-30 -63.46 -71.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.7 mt -44.75 -53.0 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.91 -39.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -70.36 -51.99 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ALA . 77.2 tttt -37.68 -55.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -45.66 93.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.3 -60.01 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.452 ' HB2' ' CG2' ' A' ' 12' ' ' VAL . 32.7 t80 -48.23 -55.69 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -47.37 -49.28 24.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -56.45 -38.13 71.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 15' ' ' PHE . 13.0 mt -68.64 -44.29 74.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.452 HD23 ' CE2' ' A' ' 69' ' ' TYR . 67.3 mt -54.04 -33.67 57.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 8' ' ' TYR . 17.2 mm -31.86 -42.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -93.94 -31.94 7.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' TYR . 12.2 mt -36.41 -59.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -54.33 -62.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' VAL . 35.5 m-80 -34.03 -64.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.5 p -62.01 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.449 ' CD1' HD11 ' A' ' 72' ' ' LEU . 27.8 t80 -49.11 -48.07 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -67.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.06 -54.07 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -53.76 -41.78 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.9 mptt -90.98 17.6 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 44.11 35.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 mt -91.64 176.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -117.46 109.57 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.512 HG21 ' CE2' ' A' ' 25' ' ' TYR . 3.3 p -108.07 133.01 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -130.36 133.52 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.512 ' CE2' HG21 ' A' ' 23' ' ' VAL . 90.5 m-85 -124.04 106.57 10.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -105.66 158.6 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 40' ' ' CYS . 58.2 mt -127.92 137.78 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' N ' HG21 ' A' ' 39' ' ' ILE . 7.7 t -126.29 115.15 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -88.46 126.83 35.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 29.6 p -108.82 106.92 17.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -116.1 138.94 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -119.7 107.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.53 37.82 62.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 70.49 25.03 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.8 m -125.57 134.37 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.8 ttt -71.77 119.72 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.474 ' CD2' ' HG2' ' A' ' 71' ' ' LYS . 5.4 m-85 -110.66 -53.18 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.496 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -150.08 168.97 30.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -143.29 108.17 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.72 146.92 23.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.2 p -150.56 122.98 8.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.66 -175.48 29.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -72.95 -32.04 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.384 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.8 m -120.16 132.82 55.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -37.96 -58.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -43.85 -49.74 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.62 -38.73 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.64 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -45.37 -36.29 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' CD ' HG23 ' A' ' 9' ' ' ILE . 6.9 mm100 -60.84 -57.03 14.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.3 mt -60.91 -47.57 85.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.01 -47.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -46.21 77.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 63' ' ' LEU . 18.1 tttp -38.5 -54.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.78 -54.18 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.56 -46.22 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -46.34 -58.97 3.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -47.32 -49.3 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.474 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -51.53 -54.73 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 15' ' ' PHE . 11.7 mt -49.25 -44.86 44.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.02 -28.24 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.466 HG21 ' CB ' ' A' ' 62' ' ' GLN . 16.0 mm -33.1 -40.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.23 -31.18 8.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.6 mt -38.87 -54.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -53.54 -60.42 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 12' ' ' VAL . 23.7 m-20 -34.98 -53.28 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.9 m -72.07 -40.6 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.566 ' CE1' ' HD3' ' A' ' 19' ' ' LYS . 3.1 t80 -45.84 -61.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.35 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -42.77 -50.6 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -54.67 -42.16 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -93.41 22.27 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.24 30.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.41 176.2 6.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.87 140.46 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 p -123.0 135.12 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -129.31 138.82 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.484 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 75.9 m-85 -112.77 97.27 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -85.4 139.5 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 12.9 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.854 0.359 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 11.1 mm -135.52 129.39 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.08 154.93 40.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -137.23 128.2 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -96.06 113.5 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -113.4 132.01 55.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.514 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 13.4 mm -99.39 108.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.34 45.17 96.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 70.27 26.27 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -124.39 134.89 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -76.01 117.63 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.514 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 12.8 m-85 -115.36 -61.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.61 149.17 20.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.5 m -125.54 132.22 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 111.17 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -115.01 135.1 12.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 69.4 p -125.51 134.36 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.43 149.33 15.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -42.94 -37.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -114.93 147.79 39.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 22.9 tttm -48.14 -60.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' GLU . 50.1 tp60 -43.86 -68.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 28.7 tt0 -37.13 -43.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.45 -68.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' A' ' 25' ' ' TYR . 55.8 tttt -35.06 -40.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.466 ' CB ' HG21 ' A' ' 9' ' ' ILE . 31.7 mt-30 -58.41 -70.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . 5.9 mt -43.96 -43.65 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -36.23 -38.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.21 -43.78 60.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' LEU . 16.5 mtpp -47.9 -38.3 16.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -81.0 -42.14 21.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.08 79.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -50.13 -49.07 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -55.84 -52.98 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.84 -47.24 31.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.76 -52.51 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.7 mt -43.7 -39.78 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.848 0.356 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.8 mm -34.26 -38.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.3 -28.51 11.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' TYR . 16.7 mt -43.87 -58.96 2.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' PHE . 40.5 t -47.27 -62.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 56.9 m-20 -34.88 -35.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' VAL . 3.1 t -89.71 -37.58 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.0 t80 -57.02 -54.67 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -56.18 -50.27 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.94 -36.72 50.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -93.7 22.31 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 45.21 32.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.6 mt -101.84 176.01 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.89 135.0 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.474 HG22 ' CD1' ' A' ' 44' ' ' ILE . 1.3 p -114.81 136.1 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -135.49 153.53 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -132.57 107.12 8.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 41' ' ' LYS . 4.9 pt-20 -96.42 158.3 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 57' ' ' LYS . 12.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 18.6 mm -125.66 140.66 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.87 156.99 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -139.8 122.36 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.9 t -86.29 112.53 21.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' C ' HD13 ' A' ' 44' ' ' ILE . 42.8 mtpt -119.16 125.65 49.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.492 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 1.1 mp -104.89 108.85 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.63 52.46 48.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 4.5 mp0 61.05 25.19 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.3 m -123.94 123.62 40.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.0 ttt -77.26 121.22 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -112.98 -59.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.32 155.13 23.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.01 129.08 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.29 111.97 3.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.496 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -113.7 138.22 50.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.855 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.26 -169.87 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.8 -18.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.398 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' LYS . 4.0 m -131.2 132.51 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -34.37 -59.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -50.66 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.78 -55.24 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.6 -62.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -44.7 -52.93 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -42.55 -63.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.6 mt -50.94 -46.61 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -36.31 -41.25 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -66.13 -62.76 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 66.8 tttt -35.96 -36.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.65 -50.6 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.39 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.477 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 59.3 t80 -45.67 -54.52 7.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' LEU . 51.7 mm-40 -55.99 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -38.91 -39.77 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -65.52 -42.26 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.46 HD12 ' CE2' ' A' ' 69' ' ' TYR . 83.5 mt -62.29 -31.65 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.474 HG23 ' CB ' ' A' ' 62' ' ' GLN . 19.3 mm -33.6 -41.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.088 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.76 -27.08 13.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 69' ' ' TYR . 24.9 mt -44.51 -55.76 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' ASN . 56.3 t -54.65 -57.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' VAL . 16.1 m-80 -34.37 -64.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 32.1 t80 -44.62 -69.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -34.74 -51.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -52.58 -52.91 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -38.75 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.502 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 21.2 mttm -91.42 18.17 7.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp 42.09 37.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.38 176.01 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -116.06 123.17 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.432 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 2.7 p -113.03 126.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -123.67 155.27 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.47 105.45 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.29 139.43 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 9.8 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -134.17 116.72 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -107.26 148.05 29.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -132.49 113.76 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.81 112.2 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -123.22 127.88 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.6 mt -114.39 107.86 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.66 47.71 54.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 63.02 24.99 14.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 m -125.0 135.22 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.6 mtt -80.09 122.88 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -118.22 -24.65 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.61 155.02 24.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 m -142.06 106.96 4.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.173 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.36 146.07 18.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 p -138.71 122.58 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.47 168.24 34.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 56' ' ' THR . 16.0 m -58.83 -41.76 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 55' ' ' VAL . 51.7 m -114.99 136.35 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLN . 25.7 tttm -38.1 -62.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' LYS . 48.5 tt0 -34.66 -44.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.19 -54.73 43.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -70.63 -60.83 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -41.56 -26.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.474 ' CB ' HG23 ' A' ' 9' ' ' ILE . 20.8 mt-30 -83.82 -67.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.2 mt -42.17 -47.3 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.85 -65.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -44.45 -55.92 4.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' ALA . 73.0 tttt -34.59 -59.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -36.97 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -63.56 -57.57 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 38.8 t80 -35.49 -64.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -50.73 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -41.91 -39.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.4 -44.83 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 69' ' ' TYR . 7.1 mt -63.68 -34.6 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.823 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.792 0.33 . . . . 0.0 110.92 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' TYR . 17.6 mm -33.7 -39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.84 -30.16 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.529 ' HB3' ' CE1' ' A' ' 69' ' ' TYR . 20.8 mt -44.97 -62.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.2 t -45.32 -57.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -39.65 -55.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' PHE . 65.2 m -66.82 -58.72 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.517 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 4.9 t80 -34.43 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -37.09 -63.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -49.4 -49.9 42.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -54.82 -40.12 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 11.4 mptt -93.19 19.78 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt 44.53 37.59 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.91 174.14 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.16 122.19 42.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.98 133.28 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -128.09 150.24 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.24 103.05 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -87.55 127.94 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CD2' ' N ' ' A' ' 57' ' ' LYS . 32.4 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.342 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.4 mt -143.7 133.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -129.14 123.31 31.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -105.73 131.34 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 p -99.28 110.36 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -109.53 136.52 48.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 8.2 mm -113.33 101.47 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.48 50.94 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 61.66 25.64 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.0 m -124.38 133.25 53.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -71.52 114.21 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 5.1 m-85 -108.58 -62.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.23 160.22 24.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -140.8 113.55 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.69 146.27 16.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -144.98 127.9 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.99 -172.89 23.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 m -74.04 -35.07 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.3 m -114.77 155.53 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -55.44 -57.42 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.63 -40.17 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -53.48 -53.15 55.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -64.27 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.4 tttm -35.49 -49.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.409 ' C ' HD12 ' A' ' 9' ' ' ILE . 16.1 mt-30 -57.69 -67.79 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.9 mt -45.58 -50.69 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.97 -54.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.73 -46.87 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' LEU . 12.8 tttp -42.8 -56.5 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -60.57 -46.12 91.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.76 -50.45 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 24.3 t80 -47.79 -50.9 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.2 -42.39 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -56.39 -35.64 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.9 -57.11 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.2 mt -44.69 -46.48 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.808 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 8' ' ' TYR . 15.9 mm -33.25 -43.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.39 -28.24 15.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HB3' ' CE1' ' A' ' 69' ' ' TYR . 19.8 mt -44.74 -53.78 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' ASN . 75.1 t -53.05 -58.4 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' VAL . 13.2 m-80 -35.85 -66.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' PHE . 78.7 p -61.95 -54.94 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.503 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 28.0 t80 -34.74 -63.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.37 -66.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -43.69 -53.35 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -52.3 -37.45 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 26.1 mttm -95.48 22.19 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 40.9 39.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.82 173.66 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.83 118.48 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 p -111.74 137.69 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -138.22 148.2 44.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 42' ' ' CYS . 13.8 m-85 -126.49 109.04 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -93.89 153.33 18.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.876 0.37 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.78 126.09 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.5 p -119.61 162.93 18.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.7 mttp -142.11 120.79 12.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 1.8 p -93.3 109.74 21.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -108.85 139.15 44.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.558 HG13 ' CD2' ' A' ' 49' ' ' TYR . 12.1 mm -110.13 100.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 51.58 38.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.57 25.1 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.4 m -124.43 127.42 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ttm -67.0 116.04 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.558 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.8 m-85 -110.24 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.21 154.14 23.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.0 m -128.85 125.16 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.42 148.87 16.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.0 p -145.27 117.4 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.98 -171.77 18.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.4 m -91.54 -23.43 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.5 m -122.57 136.42 54.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 8.7 mmmt -36.57 -63.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.2 tt0 -46.92 -60.61 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' GLN . 2.8 tp10 -36.13 -53.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -69.45 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -41.32 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 60' ' ' ALA . 18.9 mt-30 -81.73 -63.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.7 mt -48.11 -52.2 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.89 -53.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -53.05 -52.16 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' ALA . 17.6 tttp -37.89 -53.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -63.96 -48.2 77.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.06 -38.1 62.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 51.8 t80 -65.69 -58.1 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -48.93 -39.64 27.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.65 -33.78 74.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD11 ' CE1' ' A' ' 15' ' ' PHE . 12.2 mt -76.72 -35.31 57.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.18 -27.09 68.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 pttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' HA ' ' CG ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' TYR . 28.8 mm -33.27 -42.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.26 -30.47 8.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' A' ' 69' ' ' TYR . 14.7 mt -35.78 -53.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' ASN . 80.6 t -56.16 -59.19 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' VAL . 25.1 m-20 -34.28 -58.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.4 m -69.51 -42.44 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CD1' HD12 ' A' ' 72' ' ' LEU . 2.6 t80 -47.25 -70.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -48.95 -47.25 44.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' PHE . 43.7 mtpt -54.61 -41.03 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HE2' ' N ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -92.2 18.51 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt 42.07 38.26 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mt -94.92 175.52 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.79 122.16 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 p -105.81 133.22 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -128.31 157.15 41.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 50.8 m-85 -132.93 114.27 13.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -93.58 153.08 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.846 0.355 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.2 mt -127.14 149.62 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.02 109.88 8.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -95.01 108.14 20.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.66 112.95 20.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -114.72 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.553 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 6.7 mm -99.6 102.53 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.48 44.96 96.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 71.7 26.5 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -124.36 135.31 53.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.95 123.21 23.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 8.0 m-85 -119.67 -61.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.75 154.51 25.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 t -130.69 161.3 31.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.82 137.46 9.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -123.81 121.45 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.86 156.05 26.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.3 m -50.77 -24.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 57' ' ' LYS . 12.0 m -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' N ' HG23 ' A' ' 56' ' ' THR . 8.7 tmtt? -49.21 -55.22 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -45.44 -51.55 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -47.63 -49.15 27.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.74 -57.98 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.546 ' HD2' ' CD2' ' A' ' 25' ' ' TYR . 9.2 tptt -44.79 -35.58 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.423 ' CD ' HG22 ' A' ' 9' ' ' ILE . 7.2 mm100 -66.84 -72.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 65' ' ' ALA . 5.7 mt -44.37 -47.41 9.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.72 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -81.89 -46.09 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 47.2 tttm -40.62 -43.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -78.81 -57.62 3.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.26 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 68.2 t80 -54.49 -54.13 45.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -48.91 -56.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -41.92 -53.75 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 15' ' ' PHE . 20.5 mt -53.8 -50.64 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.497 HD12 ' CE2' ' A' ' 69' ' ' TYR . 4.7 mt -58.73 -41.79 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -152.29 171.68 17.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m 49.34 54.51 10.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.72 150.47 23.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -56.34 -33.03 65.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -127.4 -44.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.76 166.91 14.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -77.56 -30.7 52.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.869 -179.773 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' TYR . 18.0 mm -33.78 -40.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.19 -30.44 9.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 69' ' ' TYR . 15.2 mt -39.23 -58.03 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' PHE . 30.7 t -51.4 -62.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' VAL . 19.6 m-80 -35.9 -51.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.8 p -75.24 -30.62 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 12' ' ' VAL . 8.1 t80 -61.42 -54.44 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -57.02 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -49.45 -48.16 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -56.13 -43.41 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -92.44 21.95 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt 39.56 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.4 mt -95.13 174.85 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.72 117.41 30.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -106.03 132.22 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -130.43 150.71 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.49 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 75.3 m-85 -126.46 105.7 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -88.64 136.75 32.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -114.74 112.34 22.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -118.72 132.79 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -94.17 143.21 26.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.601 0.715 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 121.98 8.66 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -42.85 -55.57 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -49.74 120.92 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -39.05 -70.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 7.3 mp -120.99 160.7 43.91 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.73 -179.6 19.58 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.371 -0.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -107.94 111.03 22.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -135.64 128.57 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.406 ' C ' HG13 ' A' ' 39' ' ' ILE . 28.3 m-85 -79.3 149.53 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 38' ' ' PHE . 11.5 mt -138.36 136.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.41 ' HB2' ' N ' ' A' ' 61' ' ' LYS . 35.0 m -134.95 118.08 16.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -101.51 124.88 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.476 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 5.8 p -89.68 117.16 28.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -118.12 126.55 52.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.422 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.5 mm -103.34 102.49 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.92 52.16 39.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.44 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 62.55 25.25 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.436 HG23 ' CE1' ' A' ' 49' ' ' TYR . 70.8 m -124.43 129.72 51.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.8 ttm -74.28 115.86 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.436 ' CE1' HG23 ' A' ' 47' ' ' THR . 11.3 m-85 -110.54 -61.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -131.29 160.56 23.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.8 m -142.32 114.01 7.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.02 146.61 17.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.7 p -144.58 124.76 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.393 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.44 -175.27 23.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.79 -22.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -134.3 145.78 49.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -43.99 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.53 -65.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -72.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 18.8 ttpp -38.11 -45.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.3 mt -45.88 -48.32 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.57 -51.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -55.1 -55.68 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 46.3 tttm -37.33 -46.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -69.46 -46.02 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.68 -36.23 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.536 ' CE1' HD13 ' A' ' 11' ' ' LEU . 64.2 t80 -58.81 -68.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -48.01 -37.81 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -58.1 -36.05 72.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 15' ' ' PHE . 16.7 mt -73.37 -46.15 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 69' ' ' TYR . 25.5 mt -56.14 -31.63 63.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -88.17 -46.79 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 t -132.22 86.17 47.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.708 0.766 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 169.41 18.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.465 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.74 103.76 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.389 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -47.34 101.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -110.3 151.51 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.74 -53.6 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.63 142.33 3.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -102.66 137.51 40.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.121 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.6 t -163.39 138.37 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.73 146.22 4.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -16.77 37.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.634 2.223 . . . . 0.0 112.376 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.7 p -40.79 -34.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.806 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -160.02 134.17 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 p -73.14 -43.57 61.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 m -46.94 150.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.84 140.3 3.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -93.67 45.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -63.27 -42.4 99.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.67 110.57 1.3 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -95.34 -26.79 15.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.466 HG22 ' CB ' ' A' ' 62' ' ' GLN . 16.5 mm -36.14 -41.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.15 -21.44 32.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 69' ' ' TYR . 31.0 mt -55.91 -53.13 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 HG12 ' CB ' ' A' ' 65' ' ' ALA . 12.9 p -67.24 -29.19 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -65.25 -33.95 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -91.88 -46.43 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 14.0 t80 -48.28 -46.54 36.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -60.73 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -49.5 -53.88 20.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -52.02 -37.58 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 25.1 mttm -93.08 22.35 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 43.39 35.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.58 173.05 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -121.42 111.97 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 1.7 p -109.11 122.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.79 160.63 25.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -128.82 109.53 11.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -90.03 136.32 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -116.5 141.53 48.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' SG ' ' NZ ' ' A' ' 41' ' ' LYS . 2.3 m -89.5 176.45 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -97.75 154.57 37.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.03 54.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -104.51 145.39 30.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -68.01 -19.35 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -95.07 118.96 32.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 4.3 mp -92.27 157.44 40.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.718 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.77 172.31 49.64 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.322 -0.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -127.62 121.2 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' HD2' ' CG1' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -97.78 160.06 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 57' ' ' LYS . 11.3 m-85 -93.67 147.17 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.437 ' CG1' ' HD2' ' A' ' 37' ' ' ARG . 31.9 mt -142.16 128.05 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.3 t -125.99 155.36 41.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.45 ' NZ ' ' SG ' ' A' ' 28' ' ' CYS . 28.6 mttp -134.55 135.77 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 23.5 p -104.07 118.84 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -119.67 128.04 53.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' CD1' HG21 ' A' ' 23' ' ' VAL . 2.9 mm -102.37 102.69 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.33 49.12 73.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 66.32 25.18 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.4 m -124.48 127.43 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.31 117.49 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -112.83 -57.32 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.71 165.43 26.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.5 m -143.44 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.93 153.71 18.69 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -152.13 130.61 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.67 -167.54 25.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 m -88.99 -13.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -134.05 141.01 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.473 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 10.9 mmmt -47.24 -56.29 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -51.4 -45.57 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.93 -49.99 73.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.29 -68.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 26.1 ttpt -35.04 -45.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' CB ' HG22 ' A' ' 9' ' ' ILE . 28.0 mt-30 -61.11 -72.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 7.6 mt -37.11 -48.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -37.3 -44.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -65.55 -47.37 76.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' ALA . 59.5 tttt -34.47 -56.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.76 -42.89 85.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.75 -60.99 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 11' ' ' LEU . 72.1 t80 -44.03 -51.8 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -49.9 -50.74 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 75' ' ' SER . 55.6 mttt -50.42 -53.34 30.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 mt -47.19 -45.64 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.83 -38.8 89.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -81.56 -74.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 71' ' ' LYS . 45.4 m -120.84 86.08 40.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.82 18.03 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.621 2.214 . . . . 0.0 112.369 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.31 32.18 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -81.45 98.93 8.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -45.64 135.95 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -173.34 141.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 47.48 -171.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 t -44.7 141.39 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.773 0.32 . . . . 0.0 111.141 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.4 p -88.57 133.77 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.6 146.24 16.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.54 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.24 47.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.3 m -98.65 140.37 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.6 m -136.67 120.46 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 p -133.18 -50.75 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.898 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -43.92 -46.93 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.25 -115.08 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -116.32 147.67 41.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -103.72 137.02 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.7 125.63 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -71.41 -32.15 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.947 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' TYR . 20.3 mm -34.04 -39.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.79 -30.49 8.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 69' ' ' TYR . 19.4 mt -40.8 -55.97 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' PHE . 96.5 t -53.47 -61.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 12.7 m-80 -34.36 -53.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m -75.85 -32.96 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 72' ' ' LEU . 10.1 t80 -57.22 -48.35 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -64.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.25 -50.34 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -56.1 -36.19 67.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' CD ' ' HG3' ' A' ' 77' ' ' PRO . 25.8 mttm -95.27 17.54 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm 48.14 32.99 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.72 172.75 7.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -114.47 117.1 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 p -107.22 129.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -132.3 164.07 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.553 ' CD2' ' HG3' ' A' ' 61' ' ' LYS . 65.9 m-85 -133.05 115.41 15.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -89.4 119.59 29.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -83.24 154.0 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 p -50.83 -179.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -112.48 143.51 29.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.741 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 31' ' ' ASN . 54.1 Cg_endo -69.72 -13.91 35.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.376 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' PRO . 12.2 m-20 -36.01 -54.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -118.5 116.67 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.24 -50.78 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -101.82 152.93 38.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.77 146.71 82.95 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.356 -0.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -72.14 76.98 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 144.84 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 10.4 m-85 -93.71 136.47 33.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 17.1 mm -133.86 121.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.6 m -117.4 122.55 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -103.65 107.9 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.18 105.17 10.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -109.49 137.89 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mm -110.01 106.8 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.71 43.41 99.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 71.08 26.87 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.6 m -123.84 134.99 53.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -78.56 121.57 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.04 -60.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.03 154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 t -135.56 159.13 42.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.56 150.99 19.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' CD1' ' A' ' 39' ' ' ILE . 96.0 p -132.94 131.59 41.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.3 177.36 38.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.4 m -64.63 -44.11 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.2 m -112.71 148.94 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 48.1 tttm -43.15 -60.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -39.03 -64.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.69 -44.07 3.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -66.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 29.7 tttt -41.38 -48.35 3.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.444 ' CB ' HG22 ' A' ' 9' ' ' ILE . 24.8 mt-30 -50.67 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.9 mt -43.78 -48.81 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.14 -48.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -61.04 -48.83 79.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' ALA . 48.0 tttt -36.95 -67.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -55.13 -45.43 75.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.6 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.559 ' CE2' HD13 ' A' ' 11' ' ' LEU . 11.3 t80 -53.35 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -38.2 -47.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -51.96 -51.3 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -60.96 -45.98 92.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.2 mt -49.92 -30.18 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -91.06 -55.17 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 m -116.78 86.16 18.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.646 0.736 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.94 17.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.429 ' HG3' ' CD ' ' A' ' 19' ' ' LYS . 53.9 Cg_endo -69.74 -12.07 32.18 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.349 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -95.7 166.42 11.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.6 t -65.48 122.51 17.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.39 130.2 42.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 157.68 -143.92 10.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 p -112.76 -32.02 6.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 111.127 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 56.46 38.9 30.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.05 149.16 24.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -15.53 37.2 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.0 m -115.97 159.96 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 t -82.27 134.47 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -62.15 -45.67 92.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -94.71 -55.17 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.24 158.63 10.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -54.69 154.38 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m 44.19 44.6 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.52 39.08 3.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -42.29 -29.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.0 mm -34.33 -39.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.87 -28.18 12.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 69' ' ' TYR . 17.6 mt -46.1 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' PHE . 39.0 t -48.06 -59.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' VAL . 43.6 m-20 -34.84 -56.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -73.94 -30.38 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CZ ' ' HE3' ' A' ' 19' ' ' LYS . 13.0 t80 -57.29 -51.9 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -62.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -46.86 -55.23 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -52.68 -40.87 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HE3' ' CZ ' ' A' ' 15' ' ' PHE . 39.4 mttt -89.56 20.26 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 43.56 35.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 mt -96.29 174.24 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -113.54 118.67 35.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 1.9 p -114.98 126.39 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.65 152.56 45.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.512 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 66.6 m-85 -124.59 99.89 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -88.34 138.99 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' NE2' ' HE3' ' A' ' 57' ' ' LYS . 2.1 mp0 -112.92 135.85 53.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -135.75 145.34 46.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -123.55 142.69 39.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -163.98 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -55.96 178.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -79.42 73.44 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -140.34 128.67 22.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 1.7 mm? -90.04 156.81 46.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.578 0.704 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.2 Cg_endo -69.83 176.57 32.29 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.323 -0.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -87.01 116.83 25.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -88.84 120.81 30.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 57' ' ' LYS . 12.8 m-85 -86.94 109.04 19.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.3 mt -114.01 118.72 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -109.18 153.05 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -136.61 121.87 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.1 t -87.89 115.57 25.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.81 128.6 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mt -119.02 119.33 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.78 44.18 98.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 62.92 25.02 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.9 m -124.43 139.38 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -83.31 130.82 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.549 ' CE2' HD22 ' A' ' 72' ' ' LEU . 28.4 m-85 -121.79 -59.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.92 161.51 25.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.59 150.02 19.26 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 p -142.25 116.76 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.19 -172.57 19.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -85.01 -18.7 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -130.1 132.22 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 29.2 tttt -37.31 -50.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -52.87 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -40.23 -50.89 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -58.76 -68.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.512 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 24.0 ttpt -34.63 -61.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -38.87 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 mt -42.51 -43.39 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.91 -39.4 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -66.41 -52.68 44.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -38.49 -59.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.78 -35.43 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -65.06 -61.23 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 41.9 t80 -36.11 -63.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.74 -31.79 66.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ALA . 14.1 tppt? -72.08 -27.35 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.549 HD22 ' CE2' ' A' ' 49' ' ' TYR . 12.0 mt -79.61 -38.73 33.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.12 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -96.2 -47.43 6.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m -122.2 86.11 47.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.652 0.739 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 170.03 17.52 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.238 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.468 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.77 -7.78 21.94 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -55.84 88.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 t -91.64 -25.72 19.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.96 -51.11 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.0 150.77 5.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.0 p -57.63 170.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.108 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.3 p -104.14 175.74 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.58 147.12 16.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 127.7 15.01 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 p 43.96 45.06 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.9 t -118.22 -44.45 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.438 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -166.43 170.63 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -88.32 49.15 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 117.33 1.26 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -65.05 164.15 13.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -110.25 57.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.39 -179.04 2.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -92.67 -30.64 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.4 mm -33.92 -41.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.22 -32.23 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 69' ' ' TYR . 13.2 mt -34.41 -46.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ASN . 46.7 t -65.92 -60.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' VAL . 20.6 m-80 -35.68 -39.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 m -87.27 -41.21 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CD1' ' CD1' ' A' ' 72' ' ' LEU . 5.9 t80 -49.97 -39.21 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.31 -69.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.53 -50.78 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 3.1 mptt -56.72 -38.36 72.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 13.1 mptt -95.15 20.38 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 16.7 pttm 43.67 40.41 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.82 175.74 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 m -121.67 120.3 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 p -103.46 141.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -130.88 142.11 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -123.84 99.18 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.21 135.1 34.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.73 103.76 9.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 m -122.17 -178.7 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.83 143.86 37.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.744 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 31' ' ' ASN . 53.8 Cg_endo -69.75 140.07 41.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -35.5 -65.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 m -42.52 113.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -42.35 -68.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -112.68 155.79 43.41 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.7 172.65 47.82 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.331 -0.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -114.22 100.72 8.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 170.44 9.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 23.4 m-85 -86.35 133.82 33.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.0 mm -129.81 129.61 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 m -121.29 149.11 43.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 117.65 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.4 t -95.69 107.13 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -110.29 140.34 44.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.448 HG13 ' CD2' ' A' ' 49' ' ' TYR . 3.7 mm -113.65 104.18 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.77 50.62 46.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 61.76 25.3 15.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.0 m -124.35 132.27 53.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 ttt -70.96 120.17 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' CD2' HG13 ' A' ' 44' ' ' ILE . 5.1 m-85 -114.39 -61.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.96 142.1 11.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -120.69 115.99 24.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.128 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.6 145.4 17.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -140.94 142.14 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 -168.37 35.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -94.06 -22.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' LYS . 1.7 m -125.38 138.09 54.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 25.3 mtpp -36.7 -58.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -42.38 -63.04 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -38.79 -60.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -61.19 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -42.63 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' ALA . 8.5 mm100 -82.93 -70.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' ALA . 7.3 mt -47.76 -46.74 30.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -36.12 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -83.48 -48.21 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' LEU . 42.8 tttm -37.33 -43.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.17 -46.79 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.37 -52.89 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.554 ' CE2' ' CD1' ' A' ' 11' ' ' LEU . 28.5 t80 -46.67 -44.99 19.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.79 -43.79 97.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -33.97 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.582 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 13.8 mt -73.92 -51.14 17.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.22 -28.92 12.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -82.42 -62.35 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -126.54 86.21 58.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 168.73 20.78 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.75 175.0 8.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -117.99 161.86 19.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -67.73 123.17 19.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.66 126.87 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 172.12 114.84 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.5 m -113.84 -48.25 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 m -118.67 177.0 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.69 73.16 0.4 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -33.04 17.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.36 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 t -41.09 107.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 m -48.89 135.64 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -95.3 -52.12 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 p -154.56 119.0 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.07 -152.91 8.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -125.0 170.73 10.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -94.49 141.3 28.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.53 75.59 1.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.492 ' CE1' ' HE2' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -92.04 -30.87 15.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.794 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 8' ' ' TYR . 20.3 mm -33.96 -35.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -94.11 -34.57 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.422 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' TYR . 18.5 mt -38.69 -45.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.13 -59.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -39.31 -52.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 18.2 m -71.21 -60.99 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' SER . 41.7 t80 -36.5 -57.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.05 -65.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -51.8 -47.86 64.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -54.65 -38.34 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -92.21 18.09 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 49.12 31.05 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.1 173.67 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -117.58 120.56 38.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -103.53 131.44 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -127.02 153.22 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -132.05 101.0 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -89.43 137.86 31.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -113.7 139.83 48.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 m -89.57 168.1 12.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -81.23 151.57 69.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 106.28 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -84.23 149.72 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 33' ' ' GLU . 32.5 t -52.22 -39.68 60.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 2.2 pp20? -35.28 121.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 92.3 mt -110.61 153.07 43.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.563 0.697 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.76 167.26 71.67 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.313 -0.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HG3' ' CD2' ' A' ' 34' ' ' LEU . 97.6 mt-30 -75.26 117.81 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' NE ' HD13 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -123.45 131.16 53.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -82.05 154.46 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 HD13 ' NE ' ' A' ' 37' ' ' ARG . 3.2 mm -129.81 147.46 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.72 105.99 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -93.26 114.13 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -83.86 113.38 20.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 47' ' ' THR . 13.3 mmmt -113.32 118.57 34.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.444 ' HB ' ' CE2' ' A' ' 49' ' ' TYR . 3.4 mm -94.29 105.59 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.84 44.46 92.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 71.79 25.43 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.935 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.405 ' C ' ' HD2' ' A' ' 43' ' ' LYS . 30.4 m -124.38 113.97 18.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -65.5 109.75 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.444 ' CE2' ' HB ' ' A' ' 44' ' ' ILE . 12.3 m-85 -104.56 -56.97 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.37 166.17 30.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -141.97 156.23 45.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.06 160.43 23.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 96.6 p -145.74 134.96 22.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.72 153.46 23.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -48.79 -24.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.121 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -127.17 144.89 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -39.62 -64.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLU . 2.4 tp-100 -38.99 -66.14 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' GLN . 10.6 tp10 -34.47 -47.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -71.43 -69.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -38.7 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 60' ' ' ALA . 28.2 mt-30 -70.83 -70.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.8 -35.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.49 -44.69 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.492 ' HE2' ' CE1' ' A' ' 8' ' ' TYR . 36.2 tttm -42.87 -64.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -59.35 -46.05 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.03 -45.19 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' A' ' 73' ' ' LEU . 43.3 t80 -61.12 -59.62 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -42.87 -43.12 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -59.2 -54.3 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.57 -39.63 61.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 69' ' ' TYR . 74.6 mt -60.0 -29.16 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -83.91 -51.07 7.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.3 p -129.63 86.19 56.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 166.43 27.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -33.61 16.25 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -92.17 168.56 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.5 m -111.67 44.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -56.6 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.01 145.59 4.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 p -60.44 -34.76 74.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 p 50.06 41.84 23.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.07 165.33 22.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.72 -5.86 17.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.707 2.272 . . . . 0.0 112.311 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 85' ' ' PRO . 2.5 m -34.6 -47.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -112.34 86.05 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 p -125.32 166.83 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -85.36 153.13 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.28 160.73 9.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -105.94 138.97 41.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 8' ' ' TYR . 75.7 m -138.29 170.64 15.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.64 67.96 0.3 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -63.48 -29.07 70.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.792 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.46 HG23 ' CB ' ' A' ' 62' ' ' GLN . 32.2 mm -34.47 -39.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.37 -26.98 14.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' TYR . 15.4 mt -46.65 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -43.01 -58.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -39.63 -51.76 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' PHE . 64.3 m -73.31 -62.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 6.8 t80 -33.77 -51.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.96 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -50.23 -49.42 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' CE ' ' HB3' ' A' ' 14' ' ' SER . 30.4 mttm -53.63 -39.47 65.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mptt -91.84 19.82 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm 45.86 37.71 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.2 mt -97.72 175.06 6.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.59 118.35 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 p -102.57 130.39 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -125.97 148.36 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.69 110.36 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.36 138.16 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -110.3 143.44 40.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.8 m -104.19 167.18 9.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -126.28 154.27 74.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -0.23 6.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 m120 64.26 30.18 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m 56.2 48.9 16.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -171.73 125.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 3.9 mm? -71.95 159.1 86.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 54.5 Cg_endo -69.76 176.82 31.04 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.355 -0.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.437 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -125.1 126.71 45.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ttp-105 -129.59 151.15 50.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -101.46 118.61 37.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -122.2 127.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.04 124.43 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -106.33 129.12 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 15.1 p -96.88 119.41 35.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -122.71 139.68 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.498 HG13 ' CD2' ' A' ' 49' ' ' TYR . 3.7 mm -121.61 105.68 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 46' ' ' GLN . . . 66.39 64.7 3.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 20.0 pt20 47.26 25.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -125.27 141.46 52.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -81.57 125.14 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.7 m-85 -115.33 -60.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.38 165.95 26.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.5 m -144.02 113.79 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 111.136 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.75 146.16 16.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.3 p -140.93 122.22 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.99 -178.43 24.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.7 m -79.56 -18.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -132.39 141.51 48.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -42.67 -45.53 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -60.01 -47.12 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -55.12 -48.18 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -69.6 -71.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 60' ' ' ALA . 18.7 ttpp -34.6 -46.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' CB ' HG23 ' A' ' 9' ' ' ILE . 10.3 mt-30 -57.25 -72.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 64' ' ' ALA . 10.1 mt -39.1 -53.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.97 -58.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.97 -53.6 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -43.86 -49.14 8.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -63.24 -55.66 23.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.86 -42.81 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.45 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 34.4 t80 -55.63 -60.57 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -40.66 -54.88 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -52.12 -52.21 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.33 -47.36 47.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 10.0 mt -55.78 -34.32 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -78.33 -56.81 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.1 m -126.92 86.06 59.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.713 0.768 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 168.53 21.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 151.69 69.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -128.29 150.92 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -121.91 138.67 54.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.46 -58.84 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.67 65.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -109.34 124.72 51.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.165 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -144.54 135.71 25.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.72 175.51 30.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.87 69.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.0 p -73.22 164.35 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.3 t -97.77 -60.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -77.38 81.0 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 p -76.16 137.4 40.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.71 -61.7 0.32 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -71.53 121.54 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -108.44 124.0 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.82 74.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -96.04 -30.65 13.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.9 mm -34.65 -40.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.94 -27.7 18.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 8' ' ' TYR . 20.9 mt -46.53 -61.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' ASN . 38.4 t -43.78 -61.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 6.4 m-80 -34.61 -72.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 5.5 m -55.92 -56.15 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CD1' ' HD3' ' A' ' 19' ' ' LYS . 7.8 t80 -35.68 -63.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.35 -61.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -48.61 -50.21 33.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -53.52 -37.48 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 8.3 mptt -94.26 22.18 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 10.3 ptpt 44.19 32.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.47 176.34 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.25 139.4 52.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 1.3 p -123.37 129.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -121.42 149.51 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -124.85 97.89 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -84.89 138.96 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -115.76 108.8 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 p -38.36 157.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -102.01 142.96 25.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.727 . . . . 0.0 110.956 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -166.47 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 59.42 41.27 19.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.6 m -133.16 -39.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -162.07 155.11 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 11.5 mt -124.37 150.89 65.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.76 -178.96 17.86 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.383 -0.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.24 110.91 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -105.05 133.17 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -86.01 119.86 26.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.96 130.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 t -120.5 116.07 24.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -101.66 130.99 48.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.4 t -102.43 112.08 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -111.15 133.81 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -101.61 101.77 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.09 49.28 76.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 68.95 25.43 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 m -123.36 131.98 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 ttt -76.29 114.01 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.36 -60.85 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.54 148.53 20.16 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.8 m -125.93 112.83 16.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.93 147.6 18.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 p -136.75 139.3 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.01 161.77 34.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 56' ' ' THR . 33.5 m -63.66 -26.91 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.458 ' N ' HG22 ' A' ' 55' ' ' VAL . 2.2 m -120.32 144.52 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -45.25 -61.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' GLU . 34.5 tt0 -42.99 -67.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLN . 25.7 tt0 -36.56 -50.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -65.17 -72.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.2 ttpt -36.87 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' ALA . 31.6 mt-30 -70.94 -67.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -47.81 -48.28 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.02 -37.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.66 -47.82 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -39.22 -60.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -59.27 -52.39 65.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.34 -42.04 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.478 ' CD2' HD11 ' A' ' 73' ' ' LEU . 78.6 t80 -60.63 -50.49 73.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -53.78 -45.23 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -52.65 -46.54 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' CD2' ' HD3' ' A' ' 77' ' ' PRO . 12.5 mt -61.49 -48.21 82.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.478 HD11 ' CD2' ' A' ' 69' ' ' TYR . 15.3 mt -54.92 -30.7 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -84.73 -62.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.9 m -120.87 86.11 40.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.76 20.59 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.77 -16.75 37.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER 34.4 47.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -106.13 142.13 36.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.84 -44.81 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.51 -63.88 1.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t 39.83 40.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.1 t -77.55 -49.5 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.61 -95.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.13 22.69 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.4 t -154.93 140.85 18.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.6 t -102.97 135.92 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -40.99 110.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -77.43 83.25 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.85 179.88 48.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -120.32 141.53 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' GLY . 43.6 t -173.52 130.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.22 112.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.456 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -84.41 -31.45 24.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 8' ' ' TYR . 20.3 mm -34.06 -41.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.01 -29.88 9.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 8' ' ' TYR . 18.7 mt -39.67 -57.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 29.3 t -50.68 -63.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.5 m-80 -34.55 -66.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' PHE . 12.1 t -57.22 -57.43 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' SER . 13.5 t80 -34.55 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.89 -65.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -45.69 -52.45 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -51.29 -40.11 58.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -93.65 23.14 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 40.38 39.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.58 170.06 9.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -109.93 114.65 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG22 ' CD1' ' A' ' 44' ' ' ILE . 1.9 p -109.13 131.76 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -128.64 161.04 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 94.7 m-85 -132.29 103.62 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.74 137.26 32.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -123.01 134.41 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -108.72 151.52 26.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -84.34 149.8 55.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.2 Cg_endo -69.72 -33.61 16.39 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.368 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' PRO . 18.5 t-20 -37.31 -31.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' PRO . 2.5 m -97.81 -65.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -78.3 115.18 17.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 3.6 mp -115.23 160.87 32.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.649 0.738 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 154.02 93.14 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.339 -0.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -38.29 96.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.7 OUTLIER -134.12 165.55 24.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -97.09 137.72 35.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 40' ' ' CYS . 36.8 mt -140.39 144.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' N ' HG22 ' A' ' 39' ' ' ILE . 2.8 t -141.39 116.18 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.64 121.85 41.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -91.6 115.11 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -112.63 146.78 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.445 ' CD1' HG22 ' A' ' 23' ' ' VAL . 3.2 mm -122.68 102.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.69 43.43 75.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 68.45 26.42 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -124.36 135.3 53.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -77.0 123.78 26.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -118.03 -61.18 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.43 170.72 31.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -149.65 162.96 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -131.72 156.02 21.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.4 p -140.71 128.05 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.1 -176.38 35.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.88 -33.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.2 m -120.63 135.68 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' THR . 37.1 ttpt -37.56 -56.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -43.49 -60.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -44.83 -39.16 5.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.92 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.557 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 29.6 tttm -45.25 -39.73 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -56.2 -65.16 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.84 -42.76 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.25 -27.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -79.29 -53.08 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 27.7 tttt -36.24 -51.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.3 -47.57 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.27 -32.4 37.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.489 ' CD2' HD13 ' A' ' 73' ' ' LEU . 47.5 t80 -66.07 -55.48 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.97 -43.54 70.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -52.8 -35.34 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.418 ' CD2' ' HD3' ' A' ' 77' ' ' PRO . 13.4 mt -75.71 -47.65 25.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.489 HD13 ' CD2' ' A' ' 69' ' ' TYR . 47.0 mt -53.2 -27.71 23.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.99 -51.28 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.2 m -120.28 86.14 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 162.19 43.01 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.77 138.07 36.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -111.27 99.49 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.7 p -120.91 99.25 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.57 134.74 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.58 -141.78 15.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -169.4 154.44 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 111.149 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 t -61.89 143.35 56.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.69 144.42 19.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 90.57 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -61.01 136.9 58.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.1 m -83.69 119.09 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -46.01 125.29 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -143.09 126.42 16.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.63 119.0 3.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -70.08 102.3 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -99.37 -41.42 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.72 52.64 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -45.1 -30.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.475 HG21 ' CB ' ' A' ' 62' ' ' GLN . 17.5 mm -33.28 -43.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.8 -30.41 15.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.533 HD12 ' CE2' ' A' ' 69' ' ' TYR . 26.7 mt -43.59 -33.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -77.59 -65.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -41.89 -26.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -95.68 -46.02 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -55.15 -45.92 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -61.49 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -51.87 -46.69 64.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -57.71 -32.23 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -98.64 20.42 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.5 35.32 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.06 175.35 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -103.86 130.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -126.01 159.27 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.17 101.96 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.26 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -108.61 128.55 54.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -61.56 157.22 17.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.41 146.08 56.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' ASN . 53.9 Cg_endo -69.77 -1.74 8.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' PRO . 20.0 t30 -36.99 -42.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.9 t -62.55 161.17 12.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.44 -175.03 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -82.68 158.8 64.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.94 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.72 137.63 44.79 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.339 -0.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -104.57 114.82 29.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.431 ' CD ' HG13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.4 177.3 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -91.91 129.16 37.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.431 HG13 ' CD ' ' A' ' 37' ' ' ARG . 3.0 mp -121.11 144.45 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 60' ' ' ALA . 8.6 p -145.11 135.55 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -119.84 107.91 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.83 112.79 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -122.58 129.51 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -119.92 112.41 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.12 46.02 89.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 62.18 25.02 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 m -124.58 131.25 53.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 ttt -77.69 129.79 35.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.477 ' CE2' HD22 ' A' ' 72' ' ' LEU . 31.2 m-85 -121.57 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.58 158.93 24.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -144.49 118.15 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.97 159.94 13.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.6 p -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.34 173.38 28.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.8 m -61.84 -41.17 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 57' ' ' LYS . 6.7 m -112.47 146.63 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' N ' HG23 ' A' ' 56' ' ' THR . 29.4 tttt -41.18 -53.01 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' GLU . 13.0 mt-30 -45.4 -65.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 3.0 tp10 -38.57 -43.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' SG ' ' A' ' 40' ' ' CYS . . . -74.92 -71.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -42.67 -23.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.475 ' CB ' HG21 ' A' ' 9' ' ' ILE . 11.0 mt-30 -78.46 -72.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.9 mt -41.61 -50.57 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.13 -56.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -53.47 -54.79 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' ALA . 80.5 tttt -36.48 -61.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.25 -39.99 76.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.66 -58.04 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE2' HD12 ' A' ' 11' ' ' LEU . 17.5 t80 -41.88 -65.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -53.55 -26.59 21.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.8 tmtp? -81.15 -27.67 35.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.477 HD22 ' CE2' ' A' ' 49' ' ' TYR . 12.0 mt -86.19 -24.22 26.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.01 -36.57 83.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -101.36 -33.19 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -121.31 86.14 43.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.644 0.735 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 169.74 18.13 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 174.88 8.84 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.52 -62.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.2 m -77.09 139.95 40.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.13 169.45 17.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -149.17 -68.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.6 m 54.89 34.67 22.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 0.0 111.15 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 p -109.4 102.16 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 170.8 85.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 157.74 59.29 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.2 t -167.52 166.04 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -92.04 41.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -63.63 -57.53 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -162.77 144.01 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.18 -128.97 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 m -67.78 152.51 45.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -97.31 144.29 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.17 48.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -93.75 -31.83 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.796 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' TYR . 21.0 mm -34.71 -38.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.82 -26.92 13.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' TYR . 26.9 mt -46.83 -52.11 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 25.6 t -56.68 -59.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 5.1 m-80 -34.69 -55.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -70.01 -47.5 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CE1' ' HD3' ' A' ' 19' ' ' LYS . 6.1 t80 -41.69 -67.64 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.01 -60.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -50.67 -47.2 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -56.57 -37.79 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.553 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 6.5 mptt -95.17 20.74 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 46.48 33.39 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mt -96.71 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.26 124.76 52.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 3.0 p -111.01 125.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.59 153.17 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -126.77 101.47 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -96.46 127.5 42.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.37 152.45 35.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.95 155.75 18.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -102.07 144.13 27.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 103.04 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' C ' ' OD1' ' A' ' 31' ' ' ASN . 39.1 t-20 -103.79 69.32 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t 56.77 44.18 23.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -124.85 126.67 45.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 3.1 mm? -122.61 158.14 57.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.79 173.8 43.23 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.307 -0.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -77.47 105.4 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.477 ' NH1' ' CD1' ' A' ' 39' ' ' ILE . 5.0 ptt85 -122.4 144.35 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.47 119.35 39.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.477 ' CD1' ' NH1' ' A' ' 37' ' ' ARG . 17.8 mt -112.72 135.14 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.2 t -131.7 114.01 14.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -102.37 118.59 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -87.02 114.92 24.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -112.4 123.07 49.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mm -98.38 109.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.46 50.89 62.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 64.19 25.63 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -124.06 132.78 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.404 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 5.0 ttt -79.11 113.46 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 11.6 m-85 -106.19 -60.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.44 164.12 29.71 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -144.15 161.42 38.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 111.207 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.39 26.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -150.8 131.69 14.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.83 173.44 35.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -63.4 -30.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -120.53 145.32 47.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -42.11 -62.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLU . 21.6 tt0 -41.31 -60.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' GLN . 11.3 tt0 -35.11 -50.41 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -60.85 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -44.2 -24.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -80.05 -68.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 6.0 mt -45.44 -48.82 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.65 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -74.68 -45.58 43.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 44.1 tttt -41.64 -49.48 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.89 -55.41 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.469 ' CE2' HD12 ' A' ' 11' ' ' LEU . 21.7 t80 -52.81 -59.87 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -43.73 -49.16 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' NZ ' ' O ' ' A' ' 48' ' ' MET . 39.5 tttt -56.06 -40.08 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.452 ' CD2' ' HD3' ' A' ' 77' ' ' PRO . 12.6 mt -66.7 -43.72 83.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.437 HD12 ' CD2' ' A' ' 69' ' ' TYR . 22.2 mt -60.57 -29.76 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -82.68 -67.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.0 p -123.3 86.12 51.84 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.91 17.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.227 . . . . 0.0 112.378 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.73 129.35 17.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.362 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 79' ' ' THR . 18.2 ttmm -72.22 -47.26 51.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 78' ' ' LYS . 35.8 p -34.04 -58.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.91 135.81 53.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.94 79.45 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.0 t -87.15 124.39 33.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.103 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 t -60.67 -57.68 11.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.17 150.69 11.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.4 Cg_endo -69.79 97.66 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 85' ' ' PRO . 21.0 t 34.38 42.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -142.1 130.36 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -152.65 165.2 35.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.806 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -116.72 43.62 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.55 166.49 14.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -145.1 129.78 18.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -61.27 -39.68 91.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.37 137.89 2.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -71.48 -27.53 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.465 HG23 ' CG ' ' A' ' 62' ' ' GLN . 18.5 mm -37.46 -38.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.74 -28.79 11.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' TYR . 19.7 mt -45.08 -63.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 45.7 t -41.02 -62.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 10.8 m-80 -35.01 -60.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' PHE . 21.8 m -63.26 -62.12 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 72' ' ' LEU . 4.5 t80 -33.88 -54.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.52 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -49.14 -48.29 44.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -55.22 -39.1 69.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.537 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -93.19 18.28 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt 49.12 30.06 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.3 mt -92.12 174.95 7.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.06 136.64 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -118.86 126.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -116.57 126.44 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -113.27 100.33 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -95.92 123.99 39.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -89.59 153.84 20.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.58 140.91 55.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.25 141.16 57.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.652 0.739 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.22 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -108.83 164.07 12.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.3 p -92.64 38.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -124.31 96.04 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 6.0 mp -80.6 160.09 67.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.0 Cg_endo -69.87 170.73 57.51 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.335 -0.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -98.51 120.76 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -121.69 137.05 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -86.96 120.81 28.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.5 mt -132.56 121.33 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 t -106.25 157.57 17.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.459 ' HD3' ' CG2' ' A' ' 51' ' ' THR . 45.7 mmtt -129.97 123.37 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.5 t -99.63 103.74 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -111.81 126.55 55.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.459 HG13 ' CD2' ' A' ' 49' ' ' TYR . 5.5 mm -104.27 105.7 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.93 49.25 49.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 63.42 24.98 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -125.92 135.77 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 tpt -74.94 113.8 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.459 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.6 m-85 -104.9 -62.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.87 161.22 24.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.459 ' CG2' ' HD3' ' A' ' 41' ' ' LYS . 29.6 m -131.71 126.95 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.175 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.31 139.96 14.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -139.13 120.98 15.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.07 -173.78 29.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 m -95.56 -21.78 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -118.41 137.46 53.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -41.29 -60.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -49.87 -56.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -41.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -58.91 -67.2 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -38.63 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' CG ' HG23 ' A' ' 9' ' ' ILE . 15.8 mt-30 -78.15 -65.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' LYS . 10.6 mt -44.89 -47.59 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.94 -40.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.35 -46.73 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' LEU . 3.0 ttmp? -45.45 -34.41 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -81.17 -42.14 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.26 94.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -50.54 -55.11 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -50.02 -48.92 52.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -48.6 -39.08 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 15' ' ' PHE . 15.2 mt -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.5 mt -49.01 -28.58 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -85.74 -63.91 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.7 p -119.2 86.16 31.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.68 26.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.2 27.8 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.648 2.232 . . . . 0.0 112.333 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -114.77 141.52 47.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -82.92 44.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.46 157.17 16.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 38.41 89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -109.94 101.88 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -171.31 125.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.22 99.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 94.93 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -115.98 116.94 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m 62.73 40.45 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.447 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -167.93 171.69 9.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.879 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -111.81 40.11 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.77 -148.75 41.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -54.63 169.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -110.53 -70.34 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.805 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.77 110.95 1.64 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -90.48 -28.78 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG23 ' CB ' ' A' ' 62' ' ' GLN . 17.9 mm -33.36 -41.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.06 -26.99 12.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 8' ' ' TYR . 21.2 mt -46.77 -48.34 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 69' ' ' TYR . 90.1 t -57.79 -60.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.3 m-80 -34.42 -48.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -77.77 -40.66 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.564 ' CD2' HD12 ' A' ' 72' ' ' LEU . 10.1 t80 -47.91 -62.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.04 -59.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -48.33 -55.0 11.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -52.16 -36.86 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 35.1 mttm -96.29 23.47 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt 40.37 32.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 mt -92.41 175.15 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 m -118.37 119.77 35.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.83 134.24 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -130.35 141.87 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -120.52 99.34 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.93 142.94 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -124.15 144.29 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -94.62 155.04 17.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.52 144.91 36.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.06 2.98 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -50.66 159.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.9 m -71.29 -14.82 62.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -133.74 165.83 24.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.53 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 4.7 mp -69.42 151.26 96.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.631 0.729 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.75 158.35 91.06 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.368 -0.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -123.75 43.13 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -88.18 173.51 8.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -103.02 156.75 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 10.3 mm -143.52 112.54 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.0 m -103.97 147.69 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.4 118.47 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.7 t -94.1 112.13 23.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.09 138.56 50.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.525 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.5 mm -111.03 111.62 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.72 39.42 97.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 71.9 25.4 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.1 m -124.42 142.4 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -78.26 123.36 26.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 13.5 m-85 -121.2 -58.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.83 137.38 8.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.1 m -118.21 119.95 36.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.191 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.81 148.11 16.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.423 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 1.5 t -136.37 141.59 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.53 165.9 37.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.38 -30.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.958 0.408 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m -120.91 136.14 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -38.74 -53.0 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' GLU . 9.6 tp-100 -44.76 -67.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLN . 4.7 tp10 -37.12 -60.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -57.76 -66.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.9 tptm -34.27 -43.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.461 ' CB ' HG23 ' A' ' 9' ' ' ILE . 20.1 mt-30 -63.46 -71.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.7 mt -44.75 -53.0 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.91 -39.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -70.36 -51.99 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ALA . 77.2 tttt -37.68 -55.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -45.66 93.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.3 -60.01 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.452 ' HB2' ' CG2' ' A' ' 12' ' ' VAL . 32.7 t80 -48.23 -55.69 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -47.37 -49.28 24.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -56.45 -38.13 71.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 15' ' ' PHE . 13.0 mt -68.64 -44.29 74.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.452 HD23 ' CE2' ' A' ' 69' ' ' TYR . 67.3 mt -54.04 -33.67 57.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.66 -62.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 t -109.08 86.16 3.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.737 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 169.41 19.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 176.56 6.57 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -121.07 138.78 54.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.4 p -101.58 89.05 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.44 155.44 46.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.23 82.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -122.09 146.03 47.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.8 p -107.76 168.66 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.57 -174.58 13.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.541 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -177.79 2.03 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 p -131.75 -47.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.9 m -117.15 114.92 24.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -120.83 89.79 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -48.46 -52.78 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.17 -40.16 3.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -94.11 154.29 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -148.86 152.33 36.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' ILE . . . -67.11 81.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.542 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -39.64 -28.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 -179.781 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 8' ' ' TYR . 17.2 mm -31.86 -42.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -93.94 -31.94 7.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' TYR . 12.2 mt -36.41 -59.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -54.33 -62.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' VAL . 35.5 m-80 -34.03 -64.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.5 p -62.01 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.449 ' CD1' HD11 ' A' ' 72' ' ' LEU . 27.8 t80 -49.11 -48.07 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -67.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.06 -54.07 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -53.76 -41.78 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.9 mptt -90.98 17.6 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 44.11 35.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 77' ' ' PRO . 12.7 mt -91.64 176.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -117.46 109.57 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.512 HG21 ' CE2' ' A' ' 25' ' ' TYR . 3.3 p -108.07 133.01 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -130.36 133.52 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.512 ' CE2' HG21 ' A' ' 23' ' ' VAL . 90.5 m-85 -124.04 106.57 10.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -105.66 158.6 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -127.48 120.87 29.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.3 143.12 40.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -100.56 158.69 31.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 92.17 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -102.5 46.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.8 m 67.68 48.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -131.67 92.97 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 5.9 mp -99.74 152.88 37.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.701 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.71 144.19 75.85 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.326 -0.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -75.66 109.77 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -116.12 159.36 21.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -91.42 119.3 31.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 40' ' ' CYS . 58.2 mt -127.92 137.78 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' N ' HG21 ' A' ' 39' ' ' ILE . 7.7 t -126.29 115.15 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -88.46 126.83 35.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 29.6 p -108.82 106.92 17.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -116.1 138.94 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -119.7 107.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.53 37.82 62.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 70.49 25.03 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.8 m -125.57 134.37 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.8 ttt -71.77 119.72 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.474 ' CD2' ' HG2' ' A' ' 71' ' ' LYS . 5.4 m-85 -110.66 -53.18 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.496 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -150.08 168.97 30.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -143.29 108.17 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.72 146.92 23.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.2 p -150.56 122.98 8.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.66 -175.48 29.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -72.95 -32.04 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.384 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.8 m -120.16 132.82 55.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -37.96 -58.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -43.85 -49.74 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.62 -38.73 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.64 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -45.37 -36.29 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' CD ' HG23 ' A' ' 9' ' ' ILE . 6.9 mm100 -60.84 -57.03 14.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.3 mt -60.91 -47.57 85.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.01 -47.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -46.21 77.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 63' ' ' LEU . 18.1 tttp -38.5 -54.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.78 -54.18 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.56 -46.22 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -46.34 -58.97 3.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -47.32 -49.3 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -51.53 -54.73 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 15' ' ' PHE . 11.7 mt -49.25 -44.86 44.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.02 -28.24 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -77.54 -52.07 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -134.8 85.54 35.46 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.16 17.23 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.471 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 53.9 Cg_endo -69.75 122.9 9.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -65.79 -51.01 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 m -114.54 134.24 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -94.12 55.53 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.03 140.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.2 m -99.33 131.4 45.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -57.94 165.83 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.82 -150.61 13.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.25 6.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 m -153.87 169.91 22.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 p 42.13 41.68 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -77.56 85.25 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -155.03 161.57 41.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.76 158.89 14.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.437 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -135.75 164.9 26.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.366 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 t -111.21 103.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.03 119.71 0.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -97.93 -29.63 13.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 -179.807 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.466 HG21 ' CB ' ' A' ' 62' ' ' GLN . 16.0 mm -33.1 -40.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.23 -31.18 8.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.6 mt -38.87 -54.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -53.54 -60.42 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 12' ' ' VAL . 23.7 m-20 -34.98 -53.28 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.9 m -72.07 -40.6 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.566 ' CE1' ' HD3' ' A' ' 19' ' ' LYS . 3.1 t80 -45.84 -61.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.35 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -42.77 -50.6 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -54.67 -42.16 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -93.41 22.27 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.24 30.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.41 176.2 6.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.87 140.46 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 p -123.0 135.12 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -129.31 138.82 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.484 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 75.9 m-85 -112.77 97.27 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -85.4 139.5 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -115.94 155.77 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -66.04 154.35 39.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 1.1 pp20? -75.77 146.03 79.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.661 0.743 . . . . 0.0 110.889 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 102.22 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.376 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -107.9 144.74 34.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m -91.87 30.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -107.2 102.58 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 50.1 mt -72.71 154.61 91.28 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 54.2 Cg_endo -69.76 177.25 29.53 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.362 -0.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.09 127.71 55.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -133.63 159.33 40.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 12.9 m-85 -108.21 129.64 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 11.1 mm -135.52 129.39 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.08 154.93 40.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -137.23 128.2 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -96.06 113.5 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -113.4 132.01 55.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.514 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 13.4 mm -99.39 108.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.34 45.17 96.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 70.27 26.27 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -124.39 134.89 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -76.01 117.63 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.514 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 12.8 m-85 -115.36 -61.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.61 149.17 20.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.5 m -125.54 132.22 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 111.17 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -115.01 135.1 12.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 69.4 p -125.51 134.36 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.43 149.33 15.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -42.94 -37.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -114.93 147.79 39.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 22.9 tttm -48.14 -60.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' GLU . 50.1 tp60 -43.86 -68.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 28.7 tt0 -37.13 -43.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.45 -68.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' A' ' 25' ' ' TYR . 55.8 tttt -35.06 -40.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' CB ' HG21 ' A' ' 9' ' ' ILE . 31.7 mt-30 -58.41 -70.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . 5.9 mt -43.96 -43.65 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -36.23 -38.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.21 -43.78 60.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' LEU . 16.5 mtpp -47.9 -38.3 16.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -81.0 -42.14 21.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.08 79.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -50.13 -49.07 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -55.84 -52.98 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.84 -47.24 31.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.76 -52.51 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.7 mt -43.7 -39.78 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -81.68 -61.12 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -110.98 86.19 5.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.682 0.754 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 168.36 21.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.292 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -173.91 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -131.72 107.11 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -113.25 -23.6 9.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 45.98 43.91 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -164.6 67.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.0 p -152.68 150.53 29.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' GLY . 58.6 p -68.11 120.34 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -35.0 120.91 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.41 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -147.36 111.8 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.9 t -91.91 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -73.94 136.12 43.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -53.5 -48.79 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.81 178.57 16.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -117.21 144.42 44.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -163.63 157.91 19.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.65 116.6 7.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -86.96 -31.02 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.917 -179.816 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.8 mm -34.26 -38.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.3 -28.51 11.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' TYR . 16.7 mt -43.87 -58.96 2.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' PHE . 40.5 t -47.27 -62.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 56.9 m-20 -34.88 -35.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' VAL . 3.1 t -89.71 -37.58 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.0 t80 -57.02 -54.67 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -56.18 -50.27 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.94 -36.72 50.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -93.7 22.31 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 45.21 32.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.6 mt -101.84 176.01 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.89 135.0 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.474 HG22 ' CD1' ' A' ' 44' ' ' ILE . 1.3 p -114.81 136.1 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -135.49 153.53 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -132.57 107.12 8.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 41' ' ' LYS . 4.9 pt-20 -96.42 158.3 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' HG2' ' N ' ' A' ' 28' ' ' CYS . 31.6 tt0 -124.1 150.04 45.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.449 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 6.3 p -43.82 155.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.21 156.15 79.2 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 31' ' ' ASN . 54.3 Cg_endo -69.7 2.91 3.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' PRO . 47.3 m-20 -34.32 125.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.0 t -66.34 97.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.53 123.32 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 75.1 mt -105.69 154.54 39.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.74 -178.81 17.52 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.3 -0.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -135.42 114.7 12.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' CG ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -119.02 169.12 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 57' ' ' LYS . 12.5 m-85 -81.56 116.67 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.46 HD13 ' CG ' ' A' ' 37' ' ' ARG . 18.6 mm -125.66 140.66 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.87 156.99 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -139.8 122.36 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.9 t -86.29 112.53 21.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' C ' HD13 ' A' ' 44' ' ' ILE . 42.8 mtpt -119.16 125.65 49.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.492 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 1.1 mp -104.89 108.85 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.63 52.46 48.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 4.5 mp0 61.05 25.19 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.3 m -123.94 123.62 40.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.0 ttt -77.26 121.22 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -112.98 -59.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.32 155.13 23.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.1 m -119.01 129.08 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.29 111.97 3.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.496 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -113.7 138.22 50.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.855 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.26 -169.87 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.8 -18.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.398 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' LYS . 4.0 m -131.2 132.51 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -34.37 -59.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -50.66 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.78 -55.24 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.6 -62.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -44.7 -52.93 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -42.55 -63.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.6 mt -50.94 -46.61 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -36.31 -41.25 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -66.13 -62.76 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 66.8 tttt -35.96 -36.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.65 -50.6 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.39 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.477 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 59.3 t80 -45.67 -54.52 7.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' LEU . 51.7 mm-40 -55.99 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -38.91 -39.77 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.425 ' CD2' ' HD3' ' A' ' 77' ' ' PRO . 9.9 mt -65.52 -42.26 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.46 HD12 ' CE2' ' A' ' 69' ' ' TYR . 83.5 mt -62.29 -31.65 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -79.72 -65.72 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -124.81 86.16 56.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.68 0.752 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 169.87 17.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.77 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 0.0 112.298 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -122.16 95.87 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.5 m -42.0 122.98 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.68 116.49 19.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.83 -119.12 4.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 83' ' ' SER . 82.4 p -99.34 164.15 12.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.809 0.338 . . . . 0.0 111.107 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' THR . 2.8 m -35.64 -62.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 170.27 94.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -43.72 2.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.9 p -89.28 162.95 15.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -128.81 42.24 3.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -87.7 106.58 18.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.817 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 p -72.45 169.54 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.33 88.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -110.98 98.4 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.807 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -41.99 -49.03 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.32 128.41 0.95 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -78.28 -30.58 48.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.474 HG23 ' CB ' ' A' ' 62' ' ' GLN . 19.3 mm -33.6 -41.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.088 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.76 -27.08 13.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 69' ' ' TYR . 24.9 mt -44.51 -55.76 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' ASN . 56.3 t -54.65 -57.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' VAL . 16.1 m-80 -34.37 -64.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.502 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 32.1 t80 -44.62 -69.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -34.74 -51.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -52.58 -52.91 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -38.75 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.502 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 21.2 mttm -91.42 18.17 7.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp 42.09 37.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.38 176.01 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -116.06 123.17 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.432 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 2.7 p -113.03 126.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -123.67 155.27 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.47 105.45 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.29 139.43 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -118.15 151.78 36.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -47.67 153.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -89.73 153.7 47.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.655 0.741 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.37 5.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -163.36 132.18 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.5 m -71.17 88.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -155.44 153.97 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 9.4 mp -119.69 154.27 54.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.84 165.49 76.73 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.323 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.465 ' HA ' ' NE2' ' A' ' 36' ' ' GLN . 2.6 tp60 -117.56 93.19 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.63 173.8 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 9.8 m-85 -92.39 132.08 37.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -134.17 116.72 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 t -107.26 148.05 29.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -132.49 113.76 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.81 112.2 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -123.22 127.88 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.6 mt -114.39 107.86 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.66 47.71 54.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 63.02 24.99 14.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 m -125.0 135.22 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.6 mtt -80.09 122.88 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -118.22 -24.65 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.61 155.02 24.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 m -142.06 106.96 4.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.173 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.36 146.07 18.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 p -138.71 122.58 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.47 168.24 34.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 56' ' ' THR . 16.0 m -58.83 -41.76 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 55' ' ' VAL . 51.7 m -114.99 136.35 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLN . 25.7 tttm -38.1 -62.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' LYS . 48.5 tt0 -34.66 -44.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.19 -54.73 43.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -70.63 -60.83 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -41.56 -26.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.474 ' CB ' HG23 ' A' ' 9' ' ' ILE . 20.8 mt-30 -83.82 -67.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.2 mt -42.17 -47.3 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.85 -65.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -44.45 -55.92 4.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' ALA . 73.0 tttt -34.59 -59.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -36.97 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -63.56 -57.57 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 38.8 t80 -35.49 -64.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -50.73 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -41.91 -39.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD2' ' HD3' ' A' ' 77' ' ' PRO . 12.0 mt -67.4 -44.83 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 69' ' ' TYR . 7.1 mt -63.68 -34.6 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -80.68 -63.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.4 m -127.2 88.14 54.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.728 0.775 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 169.76 18.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.443 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.73 137.05 34.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -40.93 -64.97 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -86.28 131.37 34.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -113.33 82.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 137.65 111.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.3 m -65.08 146.27 55.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 111.17 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 t -119.71 122.02 40.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.68 164.22 13.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -1.73 8.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.6 p -104.9 147.13 28.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.1 m -59.47 162.99 4.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -94.58 125.37 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -88.24 120.97 30.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.92 -169.18 20.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -119.35 148.93 42.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -86.05 113.32 22.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.08 106.81 0.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -97.1 -29.5 13.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.792 0.33 . . . . 0.0 110.92 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' TYR . 17.6 mm -33.7 -39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.84 -30.16 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.529 ' HB3' ' CE1' ' A' ' 69' ' ' TYR . 20.8 mt -44.97 -62.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.2 t -45.32 -57.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -39.65 -55.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' PHE . 65.2 m -66.82 -58.72 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.517 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 4.9 t80 -34.43 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -37.09 -63.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -49.4 -49.9 42.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -54.82 -40.12 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 11.4 mptt -93.19 19.78 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt 44.53 37.59 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.91 174.14 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.16 122.19 42.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.98 133.28 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -128.09 150.24 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.24 103.05 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -87.55 127.94 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -95.4 155.66 16.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.3 p -54.53 147.69 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -80.43 141.24 52.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.19 20.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -113.37 43.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -101.97 166.17 10.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -60.96 107.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 14.7 mt -69.68 151.04 96.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.737 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.78 155.83 93.11 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.327 -0.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.402 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 6.3 pt20 -109.73 120.74 43.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -97.07 152.86 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CD2' ' N ' ' A' ' 57' ' ' LYS . 32.4 m-85 -64.11 123.31 18.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.4 mt -143.7 133.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -129.14 123.31 31.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -105.73 131.34 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 p -99.28 110.36 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -109.53 136.52 48.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 8.2 mm -113.33 101.47 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.48 50.94 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 61.66 25.64 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.0 m -124.38 133.25 53.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -71.52 114.21 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 5.1 m-85 -108.58 -62.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.23 160.22 24.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -140.8 113.55 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.69 146.27 16.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -144.98 127.9 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.99 -172.89 23.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 m -74.04 -35.07 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.3 m -114.77 155.53 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -55.44 -57.42 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.63 -40.17 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -53.48 -53.15 55.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -64.27 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.4 tttm -35.49 -49.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' C ' HD12 ' A' ' 9' ' ' ILE . 16.1 mt-30 -57.69 -67.79 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.9 mt -45.58 -50.69 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.97 -54.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.73 -46.87 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' LEU . 12.8 tttp -42.8 -56.5 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -60.57 -46.12 91.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.76 -50.45 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 24.3 t80 -47.79 -50.9 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.2 -42.39 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -56.39 -35.64 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.9 -57.11 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.2 mt -44.69 -46.48 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -71.25 -45.75 62.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -132.29 86.16 46.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.7 0.762 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 169.86 18.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.291 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -7.92 22.27 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -144.9 150.25 36.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -62.69 124.22 20.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.14 38.07 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.68 167.56 41.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -134.09 146.83 50.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 50.71 48.9 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.93 155.64 16.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.78 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -95.11 154.97 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.9 t -119.34 134.53 55.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -56.27 87.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 1' ' ' GLY . 6.0 m -153.35 171.58 18.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.56 -166.16 12.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 m -113.47 112.57 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -67.5 94.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.13 81.42 1.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -85.92 -28.7 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.362 . . . . 0.0 110.896 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 8' ' ' TYR . 15.9 mm -33.25 -43.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.39 -28.24 15.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HB3' ' CE1' ' A' ' 69' ' ' TYR . 19.8 mt -44.74 -53.78 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' ASN . 75.1 t -53.05 -58.4 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' VAL . 13.2 m-80 -35.85 -66.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' PHE . 78.7 p -61.95 -54.94 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.503 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 28.0 t80 -34.74 -63.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.37 -66.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -43.69 -53.35 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -52.3 -37.45 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 26.1 mttm -95.48 22.19 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 40.9 39.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.82 173.66 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.83 118.48 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 p -111.74 137.69 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -138.22 148.2 44.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 42' ' ' CYS . 13.8 m-85 -126.49 109.04 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -93.89 153.33 18.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -123.5 114.97 20.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 t -121.25 153.19 37.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -108.1 147.79 36.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 144.82 55.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -38.52 -59.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 t -64.67 137.61 57.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -63.06 -59.45 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.512 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 3.0 mm? -114.54 155.37 46.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.74 172.79 47.27 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.353 -0.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -78.11 108.57 11.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -124.16 120.71 33.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -89.34 116.66 27.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.78 126.09 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.5 p -119.61 162.93 18.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.7 mttp -142.11 120.79 12.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 1.8 p -93.3 109.74 21.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -108.85 139.15 44.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.558 HG13 ' CD2' ' A' ' 49' ' ' TYR . 12.1 mm -110.13 100.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 51.58 38.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.57 25.1 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.4 m -124.43 127.42 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ttm -67.0 116.04 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.558 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.8 m-85 -110.24 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.21 154.14 23.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.0 m -128.85 125.16 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.42 148.87 16.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.0 p -145.27 117.4 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.98 -171.77 18.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.4 m -91.54 -23.43 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.5 m -122.57 136.42 54.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 8.7 mmmt -36.57 -63.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.2 tt0 -46.92 -60.61 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' GLN . 2.8 tp10 -36.13 -53.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -69.45 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -41.32 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 60' ' ' ALA . 18.9 mt-30 -81.73 -63.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.7 mt -48.11 -52.2 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.89 -53.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -53.05 -52.16 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' ALA . 17.6 tttp -37.89 -53.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -63.96 -48.2 77.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.06 -38.1 62.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 51.8 t80 -65.69 -58.1 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -48.93 -39.64 27.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.65 -33.78 74.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD11 ' CE1' ' A' ' 15' ' ' PHE . 12.2 mt -76.72 -35.31 57.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.18 -27.09 68.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 75' ' ' SER . 12.3 pttt -105.08 -28.08 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 2.9 m -134.68 86.98 32.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.7 0.762 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 169.88 17.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.447 ' HG3' ' CD ' ' A' ' 19' ' ' LYS . 53.5 Cg_endo -69.74 154.27 68.02 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.382 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.67 148.69 34.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.0 p -108.81 82.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.75 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.71 -111.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.447 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.2 m -107.56 139.5 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' GLY . 58.2 m -91.72 174.58 7.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -37.66 146.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.444 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -40.73 4.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.4 m 53.18 29.63 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.8 t -57.14 -47.67 80.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -69.29 80.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -59.33 109.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.15 -143.12 2.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -134.15 131.31 38.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -43.74 -47.62 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.13 -176.84 15.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' HA ' ' CG ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -91.87 -31.78 15.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' TYR . 28.8 mm -33.27 -42.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.26 -30.47 8.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' A' ' 69' ' ' TYR . 14.7 mt -35.78 -53.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' ASN . 80.6 t -56.16 -59.19 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' VAL . 25.1 m-20 -34.28 -58.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.4 m -69.51 -42.44 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CD1' HD12 ' A' ' 72' ' ' LEU . 2.6 t80 -47.25 -70.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -48.95 -47.25 44.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' PHE . 43.7 mtpt -54.61 -41.03 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HE2' ' N ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -92.2 18.51 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt 42.07 38.26 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mt -94.92 175.52 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.79 122.16 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 p -105.81 133.22 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -128.31 157.15 41.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 50.8 m-85 -132.93 114.27 13.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -93.58 153.08 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -98.61 155.77 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -51.68 166.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -92.78 143.93 27.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -23.98 30.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -43.5 -68.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -71.13 142.44 50.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -106.43 -48.74 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 30.4 mt -111.4 151.65 43.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.708 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.77 169.35 63.82 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.351 -0.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -81.04 70.83 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -135.36 158.33 44.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -102.98 151.78 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.2 mt -127.14 149.62 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.02 109.88 8.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -95.01 108.14 20.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.66 112.95 20.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -114.72 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.553 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 6.7 mm -99.6 102.53 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.48 44.96 96.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 71.7 26.5 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -124.36 135.31 53.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.95 123.21 23.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 8.0 m-85 -119.67 -61.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.75 154.51 25.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 t -130.69 161.3 31.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.82 137.46 9.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -123.81 121.45 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.86 156.05 26.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.3 m -50.77 -24.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 57' ' ' LYS . 12.0 m -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' N ' HG23 ' A' ' 56' ' ' THR . 8.7 tmtt? -49.21 -55.22 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -45.44 -51.55 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -47.63 -49.15 27.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.74 -57.98 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.546 ' HD2' ' CD2' ' A' ' 25' ' ' TYR . 9.2 tptt -44.79 -35.58 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' CD ' HG22 ' A' ' 9' ' ' ILE . 7.2 mm100 -66.84 -72.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 65' ' ' ALA . 5.7 mt -44.37 -47.41 9.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.72 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -81.89 -46.09 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 47.2 tttm -40.62 -43.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -78.81 -57.62 3.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.26 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 68.2 t80 -54.49 -54.13 45.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -48.91 -56.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -41.92 -53.75 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 15' ' ' PHE . 20.5 mt -53.8 -50.64 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.497 HD12 ' CE2' ' A' ' 69' ' ' TYR . 4.7 mt -58.73 -41.79 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -71.01 -71.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -123.04 86.15 51.03 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.676 0.751 . . . . 0.0 110.836 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.02 67.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.2 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -174.84 125.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.2 t -112.0 150.99 29.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.56 -48.22 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.54 -67.43 2.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -159.94 123.25 3.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.122 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.6 t -81.07 42.03 0.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.59 125.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 105.34 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.1 p -116.19 151.03 36.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.6 p -54.41 -44.22 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.516 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.821 0.343 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' TYR . 18.0 mm -33.78 -40.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.19 -30.44 9.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.833 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 15.2 mt -39.23 -58.03 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' PHE . 30.7 t -51.4 -62.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' VAL . 19.6 m-80 -35.9 -51.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.8 p -75.24 -30.62 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.747 ' CE1' HD13 ' A' ' 72' ' ' LEU . 8.1 t80 -61.42 -54.44 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -57.02 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -49.45 -48.16 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -56.13 -43.41 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -92.44 21.95 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt 39.56 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.4 mt -95.13 174.85 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.72 117.41 30.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.719 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -106.03 132.22 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -130.43 150.71 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.513 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 75.3 m-85 -126.46 105.7 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -88.64 136.75 32.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.425 ' C ' HG13 ' A' ' 39' ' ' ILE . 28.3 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.425 HG13 ' C ' ' A' ' 38' ' ' PHE . 11.5 mt -138.36 136.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 61' ' ' LYS . 35.0 m -134.95 118.08 16.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 51' ' ' THR . 12.7 mttp -101.51 124.88 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.476 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 5.8 p -89.68 117.16 28.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -118.12 126.55 52.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.719 HD13 HG23 ' A' ' 23' ' ' VAL . 3.5 mm -103.34 102.49 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.92 52.16 39.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.44 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 62.55 25.25 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 m -124.43 129.72 51.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.8 ttm -74.28 115.86 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.438 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 11.3 m-85 -110.54 -61.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -131.29 160.56 23.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 41' ' ' LYS . 28.8 m -142.32 114.01 7.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.02 146.61 17.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.7 p -144.58 124.76 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.393 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.44 -175.27 23.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.79 -22.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -134.3 145.78 49.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -43.99 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.53 -65.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -72.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.513 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 18.8 ttpp -38.11 -45.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.3 mt -45.88 -48.32 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -34.57 -51.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -55.1 -55.68 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 46.3 tttm -37.33 -46.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -69.46 -46.02 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -56.68 -36.23 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.833 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 64.2 t80 -58.81 -68.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.443 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.9 pt20 -48.01 -37.81 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -58.1 -36.05 72.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 15' ' ' PHE . 16.7 mt -73.37 -46.15 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' A' ' 69' ' ' TYR . 25.5 mt -56.14 -31.63 63.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.685 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 16.5 mm -36.14 -41.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.15 -21.44 32.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.728 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 31.0 mt -55.91 -53.13 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.657 ' CG1' ' HB1' ' A' ' 65' ' ' ALA . 12.9 p -67.24 -29.19 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -65.25 -33.95 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -91.88 -46.43 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.584 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 14.0 t80 -48.28 -46.54 36.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -60.73 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -49.5 -53.88 20.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -52.02 -37.58 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 25.1 mttm -93.08 22.35 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 43.39 35.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.58 173.05 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -121.42 111.97 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.907 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -109.11 122.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.79 160.63 25.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -128.82 109.53 11.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -90.03 136.32 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 57' ' ' LYS . 11.3 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 mt -142.16 128.05 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.3 t -125.99 155.36 41.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HG2' HG23 ' A' ' 51' ' ' THR . 28.6 mttp -134.55 135.77 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 68' ' ' ALA . 23.5 p -104.07 118.84 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -119.67 128.04 53.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.907 HD13 HG23 ' A' ' 23' ' ' VAL . 2.9 mm -102.37 102.69 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.33 49.12 73.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 66.32 25.18 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.4 m -124.48 127.43 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.31 117.49 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -112.83 -57.32 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.71 165.43 26.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 41' ' ' LYS . 54.5 m -143.44 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.93 153.71 18.69 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -152.13 130.61 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.67 -167.54 25.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 m -88.99 -13.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -134.05 141.01 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 10.9 mmmt -47.24 -56.29 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -51.4 -45.57 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.93 -49.99 73.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.29 -68.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 26.1 ttpt -35.04 -45.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.506 ' HG2' HG21 ' A' ' 9' ' ' ILE . 28.0 mt-30 -61.11 -72.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 7.6 mt -37.11 -48.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -37.3 -44.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 12' ' ' VAL . . . -65.55 -47.37 76.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' ALA . 59.5 tttt -34.47 -56.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.76 -42.89 85.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -52.75 -60.99 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.728 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 72.1 t80 -44.03 -51.8 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -49.9 -50.74 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -50.42 -53.34 30.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 mt -47.19 -45.64 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.5 mt -65.83 -38.8 89.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.629 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.862 0.363 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.547 HG21 HE21 ' A' ' 62' ' ' GLN . 20.3 mm -34.04 -39.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.79 -30.49 8.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 69' ' ' TYR . 19.4 mt -40.8 -55.97 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' PHE . 96.5 t -53.47 -61.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 12.7 m-80 -34.36 -53.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m -75.85 -32.96 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.841 ' CE1' HD13 ' A' ' 72' ' ' LEU . 10.1 t80 -57.22 -48.35 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -64.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.25 -50.34 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -56.1 -36.19 67.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' HD12 ' A' ' 21' ' ' LEU . 25.8 mttm -95.27 17.54 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm 48.14 32.99 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 19' ' ' LYS . 12.6 mt -95.72 172.75 7.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -114.47 117.1 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.752 HG23 HD13 ' A' ' 44' ' ' ILE . 1.8 p -107.22 129.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -132.3 164.07 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 61' ' ' LYS . 65.9 m-85 -133.05 115.41 15.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -89.4 119.59 29.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 10.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 17.1 mm -133.86 121.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.6 m -117.4 122.55 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -103.65 107.9 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.18 105.17 10.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -109.49 137.89 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.752 HD13 HG23 ' A' ' 23' ' ' VAL . 4.5 mm -110.01 106.8 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.71 43.41 99.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 71.08 26.87 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.6 m -123.84 134.99 53.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -78.56 121.57 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.04 -60.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.03 154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 t -135.56 159.13 42.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.56 150.99 19.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' CD1' ' A' ' 39' ' ' ILE . 96.0 p -132.94 131.59 41.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.3 177.36 38.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 56' ' ' THR . 28.4 m -64.63 -44.11 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.469 ' N ' HG23 ' A' ' 55' ' ' VAL . 24.2 m -112.71 148.94 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 48.1 tttm -43.15 -60.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -39.03 -64.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.69 -44.07 3.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -66.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.572 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 29.7 tttt -41.38 -48.35 3.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.547 HE21 HG21 ' A' ' 9' ' ' ILE . 24.8 mt-30 -50.67 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.9 mt -43.78 -48.81 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -35.14 -48.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -61.04 -48.83 79.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' ALA . 48.0 tttt -36.95 -67.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -55.13 -45.43 75.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.6 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 11' ' ' LEU . 11.3 t80 -53.35 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -38.2 -47.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -51.96 -51.3 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.841 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -60.96 -45.98 92.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.2 mt -49.92 -30.18 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.0 mm -34.33 -39.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.87 -28.18 12.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.597 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 17.6 mt -46.1 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 69' ' ' TYR . 39.0 t -48.06 -59.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' VAL . 43.6 m-20 -34.84 -56.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -73.94 -30.38 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CZ ' ' HE3' ' A' ' 19' ' ' LYS . 13.0 t80 -57.29 -51.9 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -62.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -46.86 -55.23 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -52.68 -40.87 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HE3' ' CZ ' ' A' ' 15' ' ' PHE . 39.4 mttt -89.56 20.26 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 43.56 35.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 mt -96.29 174.24 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.599 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.7 m -113.54 118.67 35.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 1.9 p -114.98 126.39 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.65 152.56 45.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.537 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 66.6 m-85 -124.59 99.89 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -88.34 138.99 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 25' ' ' TYR . 10.4 mp0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 57' ' ' LYS . 12.8 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.78 0.324 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.3 mt -114.01 118.72 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -109.18 153.05 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HG2' HG23 ' A' ' 51' ' ' THR . 15.5 mttp -136.61 121.87 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 3.1 t -87.89 115.57 25.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HZ3' ' HB2' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -121.81 128.6 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 22' ' ' SER . 6.1 mt -119.02 119.33 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.78 44.18 98.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 62.92 25.02 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.9 m -124.43 139.38 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -83.31 130.82 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE2' HD23 ' A' ' 72' ' ' LEU . 28.4 m-85 -121.79 -59.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.92 161.51 25.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.468 HG23 ' HG2' ' A' ' 41' ' ' LYS . 24.0 m -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.59 150.02 19.26 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 p -142.25 116.76 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.19 -172.57 19.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -85.01 -18.7 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -130.1 132.22 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 29.2 tttt -37.31 -50.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -52.87 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -40.23 -50.89 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -58.76 -68.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 24.0 ttpt -34.63 -61.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -38.87 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 mt -42.51 -43.39 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -42.91 -39.4 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -66.41 -52.68 44.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -38.49 -59.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.78 -35.43 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -65.06 -61.23 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.597 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 41.9 t80 -36.11 -63.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.777 ' HA ' HD12 ' A' ' 73' ' ' LEU . 28.7 mm-40 -57.74 -31.79 66.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ALA . 14.1 tppt? -72.08 -27.35 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.559 HD23 ' CE2' ' A' ' 49' ' ' TYR . 12.0 mt -79.61 -38.73 33.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.777 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.5 mt -64.12 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.707 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.767 HG21 ' CD ' ' A' ' 62' ' ' GLN . 19.4 mm -33.92 -41.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.22 -32.23 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.038 HD13 ' CE2' ' A' ' 69' ' ' TYR . 13.2 mt -34.41 -46.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 68' ' ' ALA . 46.7 t -65.92 -60.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' VAL . 20.6 m-80 -35.68 -39.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 m -87.27 -41.21 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.933 ' CD1' HD13 ' A' ' 72' ' ' LEU . 5.9 t80 -49.97 -39.21 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.31 -69.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.53 -50.78 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 3.1 mptt -56.72 -38.36 72.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 13.1 mptt -95.15 20.38 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 16.7 pttm 43.67 40.41 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.82 175.74 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 m -121.67 120.3 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.706 HG23 HD13 ' A' ' 44' ' ' ILE . 1.6 p -103.46 141.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -130.88 142.11 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -123.84 99.18 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.21 135.1 34.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 23.4 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.809 0.338 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.0 mm -129.81 129.61 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 21.2 m -121.29 149.11 43.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 117.65 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.4 t -95.69 107.13 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -110.29 140.34 44.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.706 HD13 HG23 ' A' ' 23' ' ' VAL . 3.7 mm -113.65 104.18 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.77 50.62 46.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 61.76 25.3 15.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.0 m -124.35 132.27 53.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 ttt -70.96 120.17 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.472 ' CD2' HG13 ' A' ' 44' ' ' ILE . 5.1 m-85 -114.39 -61.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.96 142.1 11.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -120.69 115.99 24.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.128 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.6 145.4 17.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -140.94 142.14 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 -168.37 35.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -94.06 -22.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' LYS . 1.7 m -125.38 138.09 54.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 25.3 mtpp -36.7 -58.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -42.38 -63.04 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -38.79 -60.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' A' ' 40' ' ' CYS . . . -61.19 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -42.63 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.767 ' CD ' HG21 ' A' ' 9' ' ' ILE . 41.0 mm-40 -82.93 -70.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' ALA . 7.3 mt -47.76 -46.74 30.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -36.12 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -83.48 -48.21 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' LEU . 42.8 tttm -37.33 -43.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.17 -46.79 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -49.37 -52.89 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 1.038 ' CE2' HD13 ' A' ' 11' ' ' LEU . 28.5 t80 -46.67 -44.99 19.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.79 -43.79 97.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -50.93 -33.97 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.933 HD13 ' CD1' ' A' ' 15' ' ' PHE . 13.8 mt -73.92 -51.14 17.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.22 -28.92 12.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.9 mttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.749 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.523 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 20.3 mm -33.96 -35.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -94.11 -34.57 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.422 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 8' ' ' TYR . 18.5 mt -38.69 -45.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.13 -59.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -39.31 -52.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 18.2 m -71.21 -60.99 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.674 ' CE1' HD13 ' A' ' 72' ' ' LEU . 41.7 t80 -36.5 -57.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.05 -65.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -51.8 -47.86 64.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -54.65 -38.34 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -92.21 18.09 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 49.12 31.05 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.1 173.67 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -117.58 120.56 38.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -103.53 131.44 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -127.02 153.22 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -132.05 101.0 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -89.43 137.86 31.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 53' ' ' SER . 3.2 mm -129.81 147.46 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.72 105.99 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 3.8 ttmp? -93.26 114.13 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -83.86 113.38 20.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 47' ' ' THR . 13.3 mmmt -113.32 118.57 34.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.64 HD13 HG23 ' A' ' 23' ' ' VAL . 3.4 mm -94.29 105.59 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.84 44.46 92.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 71.79 25.43 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.935 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.423 ' C ' ' HD2' ' A' ' 43' ' ' LYS . 30.4 m -124.38 113.97 18.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -65.5 109.75 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' CE2' ' HB ' ' A' ' 44' ' ' ILE . 12.3 m-85 -104.56 -56.97 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.37 166.17 30.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -141.97 156.23 45.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.06 160.43 23.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' HD13 ' A' ' 39' ' ' ILE . 96.6 p -145.74 134.96 22.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.404 ' HA3' ' CG ' ' A' ' 59' ' ' GLU . . . -166.72 153.46 23.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -48.79 -24.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.121 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -127.17 144.89 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -39.62 -64.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLU . 2.4 tp-100 -38.99 -66.14 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' GLN . 10.6 tp10 -34.47 -47.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -71.43 -69.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -38.7 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HA ' HG23 ' A' ' 9' ' ' ILE . 28.2 mt-30 -70.83 -70.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.8 -35.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -73.49 -44.69 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 8' ' ' TYR . 36.2 tttm -42.87 -64.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -59.35 -46.05 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.03 -45.19 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 73' ' ' LEU . 43.3 t80 -61.12 -59.62 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -42.87 -43.12 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -59.2 -54.3 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.674 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -52.57 -39.63 61.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 69' ' ' TYR . 74.6 mt -60.0 -29.16 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.654 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.579 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 32.2 mm -34.47 -39.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.37 -26.98 14.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.887 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 15.4 mt -46.65 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 68' ' ' ALA . 21.4 t -43.01 -58.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -39.63 -51.76 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' PHE . 64.3 m -73.31 -62.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 6.8 t80 -33.77 -51.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.96 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -50.23 -49.42 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' HB3' ' A' ' 14' ' ' SER . 30.4 mttm -53.63 -39.47 65.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mptt -91.84 19.82 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm 45.86 37.71 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.2 mt -97.72 175.06 6.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.59 118.35 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.651 HG23 ' CD1' ' A' ' 44' ' ' ILE . 1.6 p -102.57 130.39 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -125.97 148.36 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.69 110.36 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.36 138.16 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.821 0.343 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -122.2 127.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.04 124.43 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HG2' HG23 ' A' ' 51' ' ' THR . 26.4 mttp -106.33 129.12 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 15.1 p -96.88 119.41 35.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -122.71 139.68 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 23' ' ' VAL . 3.7 mm -121.61 105.68 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 46' ' ' GLN . . . 66.39 64.7 3.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 20.0 pt20 47.26 25.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -125.27 141.46 52.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -81.57 125.14 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.7 m-85 -115.33 -60.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.38 165.95 26.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.675 HG23 ' HG2' ' A' ' 41' ' ' LYS . 90.5 m -144.02 113.79 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.75 146.16 16.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.3 p -140.93 122.22 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.99 -178.43 24.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.7 m -79.56 -18.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -132.39 141.51 48.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -42.67 -45.53 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -60.01 -47.12 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -55.12 -48.18 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -69.6 -71.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 60' ' ' ALA . 18.7 ttpp -34.6 -46.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' HG2' HG21 ' A' ' 9' ' ' ILE . 10.3 mt-30 -57.25 -72.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 64' ' ' ALA . 10.1 mt -39.1 -53.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.97 -58.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -45.97 -53.6 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -43.86 -49.14 8.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -63.24 -55.66 23.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -47.86 -42.81 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.887 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 34.4 t80 -55.63 -60.57 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -40.66 -54.88 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -52.12 -52.21 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 15' ' ' PHE . 11.5 mt -49.33 -47.36 47.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 10.0 mt -55.78 -34.32 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.497 HG21 ' HG2' ' A' ' 62' ' ' GLN . 19.9 mm -34.65 -40.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.94 -27.7 18.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.771 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 20.9 mt -46.53 -61.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' ASN . 38.4 t -43.78 -61.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 6.4 m-80 -34.61 -72.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 5.5 m -55.92 -56.15 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 19' ' ' LYS . 7.8 t80 -35.68 -63.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.35 -61.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -48.61 -50.21 33.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -53.52 -37.48 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 8.3 mptt -94.26 22.18 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 10.3 ptpt 44.19 32.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.47 176.34 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.25 139.4 52.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 44' ' ' ILE . 1.3 p -123.37 129.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -121.42 149.51 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -124.85 97.89 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -84.89 138.96 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.808 0.337 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.96 130.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 t -120.5 116.07 24.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.648 ' HG2' HG23 ' A' ' 51' ' ' THR . 33.4 mtmt -101.66 130.99 48.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.4 t -102.43 112.08 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -111.15 133.81 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.529 HD13 HG23 ' A' ' 23' ' ' VAL . 5.3 mm -101.61 101.77 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.09 49.28 76.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 68.95 25.43 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 m -123.36 131.98 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 ttt -76.29 114.01 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.36 -60.85 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.54 148.53 20.16 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 41' ' ' LYS . 18.8 m -125.93 112.83 16.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.93 147.6 18.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 p -136.75 139.3 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.01 161.77 34.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.66 -26.91 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m -120.32 144.52 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -45.25 -61.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' GLU . 34.5 tt0 -42.99 -67.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLN . 25.7 tt0 -36.56 -50.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -65.17 -72.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.2 ttpt -36.87 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.497 ' HG2' HG21 ' A' ' 9' ' ' ILE . 31.6 mt-30 -70.94 -67.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -47.81 -48.28 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.02 -37.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -69.66 -47.82 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.056 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -39.22 -60.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -59.27 -52.39 65.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.34 -42.04 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CE2' HD11 ' A' ' 73' ' ' LEU . 78.6 t80 -60.63 -50.49 73.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.661 ' HA ' HD12 ' A' ' 73' ' ' LEU . 66.7 mm-40 -53.78 -45.23 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -52.65 -46.54 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 15' ' ' PHE . 12.5 mt -61.49 -48.21 82.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.831 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.3 mt -54.92 -30.7 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.81 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.468 HG23 ' HA ' ' A' ' 62' ' ' GLN . 20.3 mm -34.06 -41.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.01 -29.88 9.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 8' ' ' TYR . 18.7 mt -39.67 -57.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 29.3 t -50.68 -63.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.5 m-80 -34.55 -66.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' PHE . 12.1 t -57.22 -57.43 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CE1' HD13 ' A' ' 72' ' ' LEU . 13.5 t80 -34.55 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.89 -65.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -45.69 -52.45 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -51.29 -40.11 58.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HB2' HD12 ' A' ' 21' ' ' LEU . 53.6 mttt -93.65 23.14 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 40.38 39.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 19' ' ' LYS . 8.1 mt -97.58 170.06 9.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -109.93 114.65 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.843 HG23 HD13 ' A' ' 44' ' ' ILE . 1.9 p -109.13 131.76 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -128.64 161.04 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 94.7 m-85 -132.29 103.62 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.74 137.26 32.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.8 mt -140.39 144.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.39 116.18 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.64 121.85 41.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -91.6 115.11 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -112.63 146.78 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.843 HD13 HG23 ' A' ' 23' ' ' VAL . 3.2 mm -122.68 102.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.69 43.43 75.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 68.45 26.42 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -124.36 135.3 53.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -77.0 123.78 26.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -118.03 -61.18 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.43 170.72 31.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -149.65 162.96 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -131.72 156.02 21.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.4 p -140.71 128.05 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.1 -176.38 35.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.88 -33.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.2 m -120.63 135.68 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' THR . 37.1 ttpt -37.56 -56.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -43.49 -60.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -44.83 -39.16 5.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.92 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 29.6 tttm -45.25 -39.73 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.468 ' HA ' HG23 ' A' ' 9' ' ' ILE . 29.2 mt-30 -56.2 -65.16 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.84 -42.76 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.25 -27.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -79.29 -53.08 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 27.7 tttt -36.24 -51.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.3 -47.57 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.401 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -52.27 -32.4 37.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.599 ' CE2' HD11 ' A' ' 73' ' ' LEU . 47.5 t80 -66.07 -55.48 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.97 -43.54 70.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -52.8 -35.34 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.641 HD13 ' CE1' ' A' ' 15' ' ' PHE . 13.4 mt -75.71 -47.65 25.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.599 HD11 ' CE2' ' A' ' 69' ' ' TYR . 47.0 mt -53.2 -27.71 23.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.572 HG21 ' HG2' ' A' ' 62' ' ' GLN . 17.5 mm -33.28 -43.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.8 -30.41 15.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.831 HD13 ' CE2' ' A' ' 69' ' ' TYR . 26.7 mt -43.59 -33.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -77.59 -65.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -41.89 -26.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -95.68 -46.02 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' ' 72' ' ' LEU . 78.0 t80 -55.15 -45.92 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -61.49 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -51.87 -46.69 64.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -57.71 -32.23 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -98.64 20.42 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.5 35.32 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.06 175.35 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' ILE . 2.5 m -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -103.86 130.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -126.01 159.27 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.17 101.96 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG3' ' CE ' ' A' ' 43' ' ' LYS . 4.9 mm-40 -84.26 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.11 144.45 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.6 p -145.11 135.55 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -119.84 107.91 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 2.0 t -71.83 112.79 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' CE ' ' HG3' ' A' ' 26' ' ' GLU . 44.0 mttt -122.58 129.51 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 22' ' ' SER . 1.8 mt -119.92 112.41 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.12 46.02 89.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 62.18 25.02 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 m -124.58 131.25 53.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 ttt -77.69 129.79 35.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -121.57 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.58 158.93 24.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -144.49 118.15 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.97 159.94 13.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.6 p -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.34 173.38 28.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.8 m -61.84 -41.17 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 m -112.47 146.63 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -41.18 -53.01 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' GLU . 13.0 mt-30 -45.4 -65.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 3.0 tp10 -38.57 -43.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' SG ' ' A' ' 40' ' ' CYS . . . -74.92 -71.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -42.67 -23.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.572 ' HG2' HG21 ' A' ' 9' ' ' ILE . 3.8 mt-30 -78.46 -72.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.9 mt -41.61 -50.57 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.595 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . . . -34.13 -56.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -53.47 -54.79 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' ALA . 80.5 tttt -36.48 -61.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.25 -39.99 76.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.66 -58.04 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CE2' HD13 ' A' ' 11' ' ' LEU . 17.5 t80 -41.88 -65.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -53.55 -26.59 21.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.8 tmtp? -81.15 -27.67 35.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 15' ' ' PHE . 12.0 mt -86.19 -24.22 26.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.01 -36.57 83.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tptt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.842 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' TYR . 21.0 mm -34.71 -38.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.82 -26.92 13.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.9 HD13 ' CE2' ' A' ' 69' ' ' TYR . 26.9 mt -46.83 -52.11 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 69' ' ' TYR . 25.6 t -56.68 -59.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 5.1 m-80 -34.69 -55.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -70.01 -47.5 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.552 ' CE1' ' HD3' ' A' ' 19' ' ' LYS . 6.1 t80 -41.69 -67.64 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.01 -60.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -50.67 -47.2 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -56.57 -37.79 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 6.5 mptt -95.17 20.74 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 46.48 33.39 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mt -96.71 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.26 124.76 52.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' CD1' ' A' ' 44' ' ' ILE . 3.0 p -111.01 125.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.59 153.17 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -126.77 101.47 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -96.46 127.5 42.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.88 0.371 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 mt -112.72 135.14 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.2 t -131.7 114.01 14.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -102.37 118.59 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -87.02 114.92 24.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -112.4 123.07 49.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.861 ' CD1' HG23 ' A' ' 23' ' ' VAL . 3.6 mm -98.38 109.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.46 50.89 62.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 64.19 25.63 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -124.06 132.78 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 ttt -79.11 113.46 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 11.6 m-85 -106.19 -60.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.44 164.12 29.71 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -144.15 161.42 38.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 111.207 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.39 26.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -150.8 131.69 14.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.83 173.44 35.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -63.4 -30.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -120.53 145.32 47.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -42.11 -62.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLU . 21.6 tt0 -41.31 -60.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' GLN . 11.3 tt0 -35.11 -50.41 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -60.85 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -44.2 -24.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -80.05 -68.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 6.0 mt -45.44 -48.82 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.65 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -74.68 -45.58 43.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 44.1 tttt -41.64 -49.48 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.89 -55.41 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.9 ' CE2' HD13 ' A' ' 11' ' ' LEU . 21.7 t80 -52.81 -59.87 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 73' ' ' LEU . 9.0 mm100 -43.73 -49.16 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -56.06 -40.08 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 15' ' ' PHE . 12.6 mt -66.7 -43.72 83.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.712 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 22.2 mt -60.57 -29.76 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.529 HG21 ' OE1' ' A' ' 62' ' ' GLN . 18.5 mm -37.46 -38.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.74 -28.79 11.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.85 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 19.7 mt -45.08 -63.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 45.7 t -41.02 -62.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 10.8 m-80 -35.01 -60.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' PHE . 21.8 m -63.26 -62.12 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CD1' ' HD3' ' A' ' 19' ' ' LYS . 4.5 t80 -33.88 -54.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.52 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -49.14 -48.29 44.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -55.22 -39.1 69.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -93.19 18.28 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt 49.12 30.06 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.3 mt -92.12 174.95 7.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.06 136.64 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -118.86 126.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -116.57 126.44 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.543 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 31.5 m-85 -113.27 100.33 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -95.92 123.99 39.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 25' ' ' TYR . 1.3 mp0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.5 mt -132.56 121.33 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 t -106.25 157.57 17.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.822 ' HD3' HG23 ' A' ' 51' ' ' THR . 45.7 mmtt -129.97 123.37 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.5 t -99.63 103.74 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -111.81 126.55 55.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.767 ' CD1' HG23 ' A' ' 23' ' ' VAL . 5.5 mm -104.27 105.7 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.93 49.25 49.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 63.42 24.98 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -125.92 135.77 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 tpt -74.94 113.8 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.6 m-85 -104.9 -62.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.87 161.22 24.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.822 HG23 ' HD3' ' A' ' 41' ' ' LYS . 29.6 m -131.71 126.95 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.175 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.31 139.96 14.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -139.13 120.98 15.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.07 -173.78 29.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 m -95.56 -21.78 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -118.41 137.46 53.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -41.29 -60.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -49.87 -56.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -41.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -58.91 -67.2 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -38.63 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.529 ' OE1' HG21 ' A' ' 9' ' ' ILE . 6.0 mt-30 -78.15 -65.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' LYS . 10.6 mt -44.89 -47.59 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.94 -40.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.35 -46.73 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' LEU . 3.0 ttmp? -45.45 -34.41 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -81.17 -42.14 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.26 94.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.85 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 56.9 t80 -50.54 -55.11 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.408 ' HA ' HD12 ' A' ' 73' ' ' LEU . 80.7 mt-30 -50.02 -48.92 52.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -48.6 -39.08 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 15' ' ' PHE . 15.2 mt -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.569 HD11 ' CE2' ' A' ' 69' ' ' TYR . 28.5 mt -49.01 -28.58 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.855 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.541 HG23 ' HA ' ' A' ' 62' ' ' GLN . 17.9 mm -33.36 -41.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.06 -26.99 12.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 8' ' ' TYR . 21.2 mt -46.77 -48.34 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 69' ' ' TYR . 90.1 t -57.79 -60.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.3 m-80 -34.42 -48.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -77.77 -40.66 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.791 ' CD2' HD13 ' A' ' 72' ' ' LEU . 10.1 t80 -47.91 -62.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.04 -59.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -48.33 -55.0 11.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -52.16 -36.86 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HB2' HD12 ' A' ' 21' ' ' LEU . 35.1 mttm -96.29 23.47 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt 40.37 32.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 19' ' ' LYS . 12.3 mt -92.41 175.15 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 m -118.37 119.77 35.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.648 HG23 HD13 ' A' ' 44' ' ' ILE . 2.5 p -106.83 134.24 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -130.35 141.87 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -120.52 99.34 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.93 142.94 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 10.3 mm -143.52 112.54 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.488 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 6.0 m -103.97 147.69 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -134.4 118.47 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.7 t -94.1 112.13 23.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.09 138.56 50.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.648 HD13 HG23 ' A' ' 23' ' ' VAL . 4.5 mm -111.03 111.62 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.72 39.42 97.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 71.9 25.4 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.1 m -124.42 142.4 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -78.26 123.36 26.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 13.5 m-85 -121.2 -58.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.83 137.38 8.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 41' ' ' LYS . 25.1 m -118.21 119.95 36.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.191 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.81 148.11 16.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 1.5 t -136.37 141.59 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.53 165.9 37.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.38 -30.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.958 0.408 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m -120.91 136.14 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -38.74 -53.0 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' GLU . 9.6 tp-100 -44.76 -67.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLN . 4.7 tp10 -37.12 -60.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 40' ' ' CYS . . . -57.76 -66.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.9 tptm -34.27 -43.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.541 ' HA ' HG23 ' A' ' 9' ' ' ILE . 20.1 mt-30 -63.46 -71.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.7 mt -44.75 -53.0 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.91 -39.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -70.36 -51.99 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ALA . 77.2 tttt -37.68 -55.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -45.66 93.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.3 -60.01 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.627 ' CE2' HD13 ' A' ' 11' ' ' LEU . 32.7 t80 -48.23 -55.69 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -47.37 -49.28 24.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -56.45 -38.13 71.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.791 HD13 ' CD2' ' A' ' 15' ' ' PHE . 13.0 mt -68.64 -44.29 74.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.612 HD21 ' CE2' ' A' ' 69' ' ' TYR . 67.3 mt -54.04 -33.67 57.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.831 HG21 ' CD ' ' A' ' 62' ' ' GLN . 17.2 mm -31.86 -42.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -93.94 -31.94 7.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.791 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 12.2 mt -36.41 -59.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -54.33 -62.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' VAL . 15.1 m120 -34.03 -64.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.5 p -62.01 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.829 ' CD1' HD13 ' A' ' 72' ' ' LEU . 27.8 t80 -49.11 -48.07 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -67.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.06 -54.07 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -53.76 -41.78 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.9 mptt -90.98 17.6 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 44.11 35.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 mt -91.64 176.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -117.46 109.57 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -108.07 133.01 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -130.36 133.52 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.04 106.57 10.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -105.66 158.6 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' GLY . 58.2 mt -127.92 137.78 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -126.29 115.15 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -88.46 126.83 35.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 29.6 p -108.82 106.92 17.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -116.1 138.94 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -119.7 107.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.53 37.82 62.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 70.49 25.03 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.8 m -125.57 134.37 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.8 ttt -71.77 119.72 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.487 ' CD2' ' HG2' ' A' ' 71' ' ' LYS . 5.4 m-85 -110.66 -53.18 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.496 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -150.08 168.97 30.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -143.29 108.17 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -83.72 146.92 23.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.2 p -150.56 122.98 8.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.66 -175.48 29.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -72.95 -32.04 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.384 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.8 m -120.16 132.82 55.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -37.96 -58.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -43.85 -49.74 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.62 -38.73 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.64 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -45.37 -36.29 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.831 ' CD ' HG21 ' A' ' 9' ' ' ILE . 6.9 mm100 -60.84 -57.03 14.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.3 mt -60.91 -47.57 85.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.01 -47.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -46.21 77.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 63' ' ' LEU . 18.1 tttp -38.5 -54.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.78 -54.18 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -41.56 -46.22 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.791 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 84.9 t80 -46.34 -58.97 3.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -47.32 -49.3 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -51.53 -54.73 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.829 HD13 ' CD1' ' A' ' 15' ' ' PHE . 11.7 mt -49.25 -44.86 44.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 ' CE2' ' A' ' 69' ' ' TYR . 72.1 mt -59.02 -28.24 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.55 HD13 ' HG3' ' A' ' 66' ' ' LYS . 16.0 mm -33.1 -40.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.23 -31.18 8.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.6 mt -38.87 -54.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -53.54 -60.42 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 12' ' ' VAL . 23.7 m-20 -34.98 -53.28 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.9 m -72.07 -40.6 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' A' ' 72' ' ' LEU . 3.1 t80 -45.84 -61.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.35 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -42.77 -50.6 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -54.67 -42.16 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -93.41 22.27 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.24 30.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' HB2' ' A' ' 19' ' ' LYS . 10.5 mt -92.41 176.2 6.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.87 140.46 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.755 HG23 HD13 ' A' ' 44' ' ' ILE . 1.2 p -123.0 135.12 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -129.31 138.82 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 75.9 m-85 -112.77 97.27 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -85.4 139.5 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 12.9 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.854 0.359 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 11.1 mm -135.52 129.39 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.08 154.93 40.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' A' ' 51' ' ' THR . 36.9 mttp -137.23 128.2 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -96.06 113.5 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -113.4 132.01 55.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.755 HD13 HG23 ' A' ' 23' ' ' VAL . 13.4 mm -99.39 108.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.34 45.17 96.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 70.27 26.27 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -124.39 134.89 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -76.01 117.63 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 12.8 m-85 -115.36 -61.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.61 149.17 20.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.58 HG23 ' HG2' ' A' ' 41' ' ' LYS . 21.5 m -125.54 132.22 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 111.17 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -115.01 135.1 12.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.452 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 69.4 p -125.51 134.36 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.43 149.33 15.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -42.94 -37.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -114.93 147.79 39.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 22.9 tttm -48.14 -60.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' GLU . 50.1 tp60 -43.86 -68.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 28.7 tt0 -37.13 -43.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.45 -68.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.492 ' HE3' ' CD2' ' A' ' 25' ' ' TYR . 55.8 tttt -35.06 -40.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.548 ' HA ' HG23 ' A' ' 9' ' ' ILE . 27.9 mt-30 -58.41 -70.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . 5.9 mt -43.96 -43.65 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -36.23 -38.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -73.21 -43.78 60.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 9' ' ' ILE . 16.5 mtpp -47.9 -38.3 16.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -81.0 -42.14 21.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.08 79.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 73' ' ' LEU . 65.5 t80 -50.13 -49.07 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.878 ' HA ' HD12 ' A' ' 73' ' ' LEU . 14.1 mm100 -55.84 -52.98 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.84 -47.24 31.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -59.76 -52.51 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' A' ' 70' ' ' GLN . 19.7 mt -43.7 -39.78 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.671 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.848 0.356 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.8 mm -34.26 -38.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.3 -28.51 11.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 8' ' ' TYR . 16.7 mt -43.87 -58.96 2.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' PHE . 40.5 t -47.27 -62.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 56.9 m-20 -34.88 -35.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' VAL . 3.1 t -89.71 -37.58 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.0 t80 -57.02 -54.67 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -56.18 -50.27 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.94 -36.72 50.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' CB ' HD12 ' A' ' 21' ' ' LEU . 29.5 mttm -93.7 22.31 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 45.21 32.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 19' ' ' LYS . 11.6 mt -101.84 176.01 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.89 135.0 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.601 HG23 HD11 ' A' ' 44' ' ' ILE . 1.3 p -114.81 136.1 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -135.49 153.53 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -132.57 107.12 8.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 41' ' ' LYS . 4.9 pt-20 -96.42 158.3 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 57' ' ' LYS . 12.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 18.6 mm -125.66 140.66 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.87 156.99 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -139.8 122.36 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 45.9 t -86.29 112.53 21.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.506 ' C ' HD12 ' A' ' 44' ' ' ILE . 42.8 mtpt -119.16 125.65 49.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.601 HD11 HG23 ' A' ' 23' ' ' VAL . 1.1 mp -104.89 108.85 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.63 52.46 48.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 4.5 mp0 61.05 25.19 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.3 m -123.94 123.62 40.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.4 ' CE ' ' HG2' ' A' ' 41' ' ' LYS . 3.0 ttt -77.26 121.22 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -112.98 -59.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.32 155.13 23.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.548 HG23 ' HG3' ' A' ' 41' ' ' LYS . 82.1 m -119.01 129.08 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.606 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -110.29 111.97 3.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.496 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.462 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -113.7 138.22 50.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.855 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.26 -169.87 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.8 -18.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.398 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' LYS . 4.0 m -131.2 132.51 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -34.37 -59.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -50.66 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.78 -55.24 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -51.6 -62.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 1.1 ttpm? -44.7 -52.93 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -42.55 -63.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.6 mt -50.94 -46.61 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -36.31 -41.25 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -66.13 -62.76 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 66.8 tttt -35.96 -36.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.65 -50.6 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.39 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.642 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 59.3 t80 -45.67 -54.52 7.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' LEU . 51.7 mm-40 -55.99 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -38.91 -39.77 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -65.52 -42.26 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' GLN . 83.5 mt -62.29 -31.65 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.591 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.528 HG21 ' HG2' ' A' ' 62' ' ' GLN . 19.3 mm -33.6 -41.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.088 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.76 -27.08 13.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.844 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 24.9 mt -44.51 -55.76 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' ASN . 56.3 t -54.65 -57.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' VAL . 16.1 m-80 -34.37 -64.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 32.1 t80 -44.62 -69.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -34.74 -51.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -52.58 -52.91 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -38.75 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 21.2 mttm -91.42 18.17 7.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp 42.09 37.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.38 176.01 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.743 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.8 m -116.06 123.17 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 23' ' ' VAL . 2.7 p -113.03 126.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -123.67 155.27 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.47 105.45 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.29 139.43 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 9.8 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -134.17 116.72 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.459 ' H ' ' HB1' ' A' ' 60' ' ' ALA . 4.8 t -107.26 148.05 29.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.758 ' HG2' HG23 ' A' ' 51' ' ' THR . 30.9 mttp -132.49 113.76 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.81 112.2 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -123.22 127.88 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 22' ' ' SER . 6.6 mt -114.39 107.86 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.66 47.71 54.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 63.02 24.99 14.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 m -125.0 135.22 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.6 mtt -80.09 122.88 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -118.22 -24.65 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.61 155.02 24.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.758 HG23 ' HG2' ' A' ' 41' ' ' LYS . 9.4 m -142.06 106.96 4.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.173 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.36 146.07 18.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 p -138.71 122.58 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.47 168.24 34.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -58.83 -41.76 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 51.7 m -114.99 136.35 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLN . 25.7 tttm -38.1 -62.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' LYS . 48.5 tt0 -34.66 -44.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.19 -54.73 43.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' A' ' 40' ' ' CYS . . . -70.63 -60.83 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -41.56 -26.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.528 ' HG2' HG21 ' A' ' 9' ' ' ILE . 15.3 mt-30 -83.82 -67.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.2 mt -42.17 -47.3 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.85 -65.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -44.45 -55.92 4.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' ALA . 73.0 tttt -34.59 -59.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -36.97 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -63.56 -57.57 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.844 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 38.8 t80 -35.49 -64.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.746 ' HA ' HD12 ' A' ' 73' ' ' LEU . 23.6 mt-30 -50.73 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -41.91 -39.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.4 -44.83 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 70' ' ' GLN . 7.1 mt -63.68 -34.6 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.823 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.658 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.792 0.33 . . . . 0.0 110.92 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 62' ' ' GLN . 17.6 mm -33.7 -39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.84 -30.16 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.886 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 20.8 mt -44.97 -62.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.423 HG21 ' HB3' ' A' ' 68' ' ' ALA . 42.2 t -45.32 -57.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -39.65 -55.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' PHE . 65.2 m -66.82 -58.72 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CD2' HD13 ' A' ' 72' ' ' LEU . 4.9 t80 -34.43 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -37.09 -63.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -49.4 -49.9 42.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -54.82 -40.12 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 15' ' ' PHE . 11.4 mptt -93.19 19.78 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt 44.53 37.59 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.91 174.14 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.16 122.19 42.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 44' ' ' ILE . 3.2 p -107.98 133.28 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -128.09 150.24 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.24 103.05 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -87.55 127.94 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CD2' ' N ' ' A' ' 57' ' ' LYS . 32.4 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.342 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.4 mt -143.7 133.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.466 ' H ' ' HB1' ' A' ' 60' ' ' ALA . 4.4 t -129.14 123.31 31.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -105.73 131.34 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB1' ' A' ' 64' ' ' ALA . 2.0 p -99.28 110.36 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -109.53 136.52 48.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.641 ' CD1' HG23 ' A' ' 23' ' ' VAL . 8.2 mm -113.33 101.47 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.48 50.94 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 61.66 25.64 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.0 m -124.38 133.25 53.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -71.52 114.21 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 5.1 m-85 -108.58 -62.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.23 160.22 24.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -140.8 113.55 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.69 146.27 16.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -144.98 127.9 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.99 -172.89 23.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 55' ' ' VAL . 5.3 m -74.04 -35.07 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 57' ' ' LYS . 37.3 m -114.77 155.53 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.426 ' N ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -55.44 -57.42 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.63 -40.17 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -53.48 -53.15 55.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.466 ' HB1' ' H ' ' A' ' 40' ' ' CYS . . . -64.27 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.4 tttm -35.49 -49.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.492 ' O ' HD12 ' A' ' 9' ' ' ILE . 16.1 mt-30 -57.69 -67.79 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.9 mt -45.58 -50.69 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.45 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -33.97 -54.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -52.73 -46.87 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' LEU . 12.8 tttp -42.8 -56.5 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -60.57 -46.12 91.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -52.76 -50.45 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.886 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 24.3 t80 -47.79 -50.9 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.2 -42.39 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -56.39 -35.64 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.627 HD13 ' CD2' ' A' ' 15' ' ' PHE . 12.4 mt -70.9 -57.11 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.2 mt -44.69 -46.48 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.808 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.68 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 62' ' ' GLN . 15.9 mm -33.25 -43.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.39 -28.24 15.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.888 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 19.8 mt -44.74 -53.78 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' ASN . 75.1 t -53.05 -58.4 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' VAL . 13.2 m-80 -35.85 -66.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' PHE . 78.7 p -61.95 -54.94 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.526 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 28.0 t80 -34.74 -63.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.37 -66.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -43.69 -53.35 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -52.3 -37.45 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.526 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 26.1 mttm -95.48 22.19 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 40.9 39.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.82 173.66 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.83 118.48 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.762 HG23 HD13 ' A' ' 44' ' ' ILE . 3.6 p -111.74 137.69 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -138.22 148.2 44.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.528 ' OH ' ' HB2' ' A' ' 65' ' ' ALA . 13.8 m-85 -126.49 109.04 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -93.89 153.33 18.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.876 0.37 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.78 126.09 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 14.5 p -119.61 162.93 18.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HG2' HG23 ' A' ' 51' ' ' THR . 18.7 mttp -142.11 120.79 12.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.626 ' SG ' ' HB1' ' A' ' 64' ' ' ALA . 1.8 p -93.3 109.74 21.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -108.85 139.15 44.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.762 HD13 HG23 ' A' ' 23' ' ' VAL . 12.1 mm -110.13 100.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 51.58 38.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.57 25.1 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.4 m -124.43 127.42 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ttm -67.0 116.04 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.8 m-85 -110.24 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HG ' ' A' ' 42' ' ' CYS . . . -140.21 154.14 23.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 41' ' ' LYS . 78.0 m -128.85 125.16 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.42 148.87 16.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.0 p -145.27 117.4 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.98 -171.77 18.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.4 m -91.54 -23.43 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.5 m -122.57 136.42 54.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 8.7 mmmt -36.57 -63.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.2 tt0 -46.92 -60.61 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' GLN . 2.8 tp10 -36.13 -53.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -69.45 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -41.32 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.522 ' O ' HD12 ' A' ' 9' ' ' ILE . 18.9 mt-30 -81.73 -63.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.7 mt -48.11 -52.2 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.626 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -33.89 -53.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.528 ' HB2' ' OH ' ' A' ' 25' ' ' TYR . . . -53.05 -52.16 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' ALA . 17.6 tttp -37.89 -53.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -63.96 -48.2 77.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.06 -38.1 62.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.888 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 51.8 t80 -65.69 -58.1 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -48.93 -39.64 27.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.65 -33.78 74.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.2 mt -76.72 -35.31 57.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 69' ' ' TYR . 82.5 mt -64.18 -27.09 68.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 pttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.503 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.665 HG21 ' CD ' ' A' ' 62' ' ' GLN . 28.8 mm -33.27 -42.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.26 -30.47 8.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.902 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 14.7 mt -35.78 -53.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' ASN . 80.6 t -56.16 -59.19 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' VAL . 25.1 m-20 -34.28 -58.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.4 m -69.51 -42.44 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CD1' HD13 ' A' ' 72' ' ' LEU . 2.6 t80 -47.25 -70.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -48.95 -47.25 44.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' PHE . 43.7 mtpt -54.61 -41.03 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -92.2 18.51 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt 42.07 38.26 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 19' ' ' LYS . 8.2 mt -94.92 175.52 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.79 122.16 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.845 HG23 HD13 ' A' ' 44' ' ' ILE . 2.0 p -105.81 133.22 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -128.31 157.15 41.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 50.8 m-85 -132.93 114.27 13.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -93.58 153.08 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.846 0.355 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.2 mt -127.14 149.62 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.02 109.88 8.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -95.01 108.14 20.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.66 112.95 20.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -114.72 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.845 HD13 HG23 ' A' ' 23' ' ' VAL . 6.7 mm -99.6 102.53 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.48 44.96 96.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 71.7 26.5 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -124.36 135.31 53.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.95 123.21 23.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 8.0 m-85 -119.67 -61.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.75 154.51 25.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 t -130.69 161.3 31.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.583 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -132.82 137.46 9.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -123.81 121.45 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.86 156.05 26.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.3 m -50.77 -24.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 m -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -49.21 -55.22 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -45.44 -51.55 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -47.63 -49.15 27.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.583 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -61.74 -57.98 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HD2' ' CD2' ' A' ' 25' ' ' TYR . 9.2 tptt -44.79 -35.58 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.665 ' CD ' HG21 ' A' ' 9' ' ' ILE . 7.2 mm100 -66.84 -72.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 65' ' ' ALA . 5.7 mt -44.37 -47.41 9.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.72 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -81.89 -46.09 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 47.2 tttm -40.62 -43.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -78.81 -57.62 3.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.26 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.936 ' CE2' HD11 ' A' ' 73' ' ' LEU . 68.2 t80 -54.49 -54.13 45.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.838 ' HA ' HD12 ' A' ' 73' ' ' LEU . 21.1 mm100 -48.91 -56.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -41.92 -53.75 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' A' ' 15' ' ' PHE . 20.5 mt -53.8 -50.64 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.936 HD11 ' CE2' ' A' ' 69' ' ' TYR . 4.7 mt -58.73 -41.79 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -152.29 171.68 17.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m 49.34 54.51 10.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.72 150.47 23.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -56.34 -33.03 65.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -127.4 -44.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.76 166.91 14.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -77.56 -30.7 52.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.869 -179.773 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' TYR . 18.0 mm -33.78 -40.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.19 -30.44 9.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.833 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 15.2 mt -39.23 -58.03 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' PHE . 30.7 t -51.4 -62.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' VAL . 19.6 m-80 -35.9 -51.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.8 p -75.24 -30.62 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.747 ' CE1' HD13 ' A' ' 72' ' ' LEU . 8.1 t80 -61.42 -54.44 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -57.02 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -49.45 -48.16 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -56.13 -43.41 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -92.44 21.95 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt 39.56 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.513 HD11 ' HG3' ' A' ' 77' ' ' PRO . 20.4 mt -95.13 174.85 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.72 117.41 30.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.719 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -106.03 132.22 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -130.43 150.71 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.513 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 75.3 m-85 -126.46 105.7 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -88.64 136.75 32.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -114.74 112.34 22.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -118.72 132.79 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -94.17 143.21 26.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.601 0.715 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 121.98 8.66 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -42.85 -55.57 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -49.74 120.92 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -39.05 -70.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 7.3 mp -120.99 160.7 43.91 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.73 -179.6 19.58 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.371 -0.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -107.94 111.03 22.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.722 ' HD2' HD11 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -135.64 128.57 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.425 ' C ' HG13 ' A' ' 39' ' ' ILE . 28.3 m-85 -79.3 149.53 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.722 HD11 ' HD2' ' A' ' 37' ' ' ARG . 11.5 mt -138.36 136.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 61' ' ' LYS . 35.0 m -134.95 118.08 16.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 51' ' ' THR . 12.7 mttp -101.51 124.88 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.476 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 5.8 p -89.68 117.16 28.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -118.12 126.55 52.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.719 HD13 HG23 ' A' ' 23' ' ' VAL . 3.5 mm -103.34 102.49 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.92 52.16 39.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.44 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 62.55 25.25 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 m -124.43 129.72 51.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.8 ttm -74.28 115.86 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.438 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 11.3 m-85 -110.54 -61.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -131.29 160.56 23.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 41' ' ' LYS . 28.8 m -142.32 114.01 7.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.02 146.61 17.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.7 p -144.58 124.76 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.393 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.44 -175.27 23.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.79 -22.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -134.3 145.78 49.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -43.99 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.53 -65.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -72.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.513 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 18.8 ttpp -38.11 -45.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.3 mt -45.88 -48.32 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -34.57 -51.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -55.1 -55.68 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 46.3 tttm -37.33 -46.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -69.46 -46.02 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -56.68 -36.23 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.833 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 64.2 t80 -58.81 -68.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.443 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.9 pt20 -48.01 -37.81 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -58.1 -36.05 72.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 15' ' ' PHE . 16.7 mt -73.37 -46.15 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' A' ' 69' ' ' TYR . 25.5 mt -56.14 -31.63 63.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -88.17 -46.79 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 t -132.22 86.17 47.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.708 0.766 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 169.41 18.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.513 ' HG3' HD11 ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.74 103.76 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.389 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -47.34 101.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -110.3 151.51 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.74 -53.6 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.63 142.33 3.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -102.66 137.51 40.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.121 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.6 t -163.39 138.37 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.73 146.22 4.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -16.77 37.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.634 2.223 . . . . 0.0 112.376 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.7 p -40.79 -34.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.806 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -160.02 134.17 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 p -73.14 -43.57 61.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 m -46.94 150.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.84 140.3 3.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -93.67 45.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -63.27 -42.4 99.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.67 110.57 1.3 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.685 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -95.34 -26.79 15.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 16.5 mm -36.14 -41.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.15 -21.44 32.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.728 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 31.0 mt -55.91 -53.13 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.657 ' CG1' ' HB1' ' A' ' 65' ' ' ALA . 12.9 p -67.24 -29.19 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -65.25 -33.95 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -91.88 -46.43 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.584 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 14.0 t80 -48.28 -46.54 36.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -60.73 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -49.5 -53.88 20.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -52.02 -37.58 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 25.1 mttm -93.08 22.35 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 43.39 35.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.58 173.05 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -121.42 111.97 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.907 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -109.11 122.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.79 160.63 25.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -128.82 109.53 11.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -90.03 136.32 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -116.5 141.53 48.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' SG ' ' NZ ' ' A' ' 41' ' ' LYS . 2.3 m -89.5 176.45 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -97.75 154.57 37.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.03 54.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -104.51 145.39 30.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -68.01 -19.35 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -95.07 118.96 32.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 4.3 mp -92.27 157.44 40.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.718 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.77 172.31 49.64 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.322 -0.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -127.62 121.2 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.609 ' HD2' HD11 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -97.78 160.06 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 57' ' ' LYS . 11.3 m-85 -93.67 147.17 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.609 HD11 ' HD2' ' A' ' 37' ' ' ARG . 31.9 mt -142.16 128.05 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.3 t -125.99 155.36 41.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.45 ' NZ ' ' SG ' ' A' ' 28' ' ' CYS . 28.6 mttp -134.55 135.77 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 68' ' ' ALA . 23.5 p -104.07 118.84 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -119.67 128.04 53.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.907 HD13 HG23 ' A' ' 23' ' ' VAL . 2.9 mm -102.37 102.69 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.33 49.12 73.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 66.32 25.18 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.4 m -124.48 127.43 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.31 117.49 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -112.83 -57.32 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.71 165.43 26.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 41' ' ' LYS . 54.5 m -143.44 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.93 153.71 18.69 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -152.13 130.61 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.67 -167.54 25.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 m -88.99 -13.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -134.05 141.01 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 10.9 mmmt -47.24 -56.29 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -51.4 -45.57 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.93 -49.99 73.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.29 -68.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 26.1 ttpt -35.04 -45.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.506 ' HG2' HG21 ' A' ' 9' ' ' ILE . 28.0 mt-30 -61.11 -72.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 7.6 mt -37.11 -48.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -37.3 -44.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 12' ' ' VAL . . . -65.55 -47.37 76.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' ALA . 59.5 tttt -34.47 -56.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.76 -42.89 85.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -52.75 -60.99 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.728 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 72.1 t80 -44.03 -51.8 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -49.9 -50.74 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 75' ' ' SER . 55.6 mttt -50.42 -53.34 30.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.476 HD23 ' HD3' ' A' ' 77' ' ' PRO . 28.7 mt -47.19 -45.64 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.5 mt -65.83 -38.8 89.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -81.56 -74.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 71' ' ' LYS . 45.4 m -120.84 86.08 40.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.82 18.03 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.621 2.214 . . . . 0.0 112.369 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.476 ' HD3' HD23 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.78 -22.31 32.18 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -81.45 98.93 8.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -45.64 135.95 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -173.34 141.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 47.48 -171.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 t -44.7 141.39 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.773 0.32 . . . . 0.0 111.141 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.4 p -88.57 133.77 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.6 146.24 16.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.54 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.24 47.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.3 m -98.65 140.37 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.6 m -136.67 120.46 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 p -133.18 -50.75 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.898 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -43.92 -46.93 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.25 -115.08 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -116.32 147.67 41.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -103.72 137.02 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.7 125.63 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.629 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -71.41 -32.15 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.947 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.547 HG21 HE21 ' A' ' 62' ' ' GLN . 20.3 mm -34.04 -39.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.79 -30.49 8.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 69' ' ' TYR . 19.4 mt -40.8 -55.97 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' PHE . 96.5 t -53.47 -61.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 12.7 m-80 -34.36 -53.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m -75.85 -32.96 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.841 ' CE1' HD13 ' A' ' 72' ' ' LEU . 10.1 t80 -57.22 -48.35 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -64.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.25 -50.34 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -56.1 -36.19 67.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' HD12 ' A' ' 21' ' ' LEU . 25.8 mttm -95.27 17.54 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm 48.14 32.99 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 19' ' ' LYS . 12.6 mt -95.72 172.75 7.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -114.47 117.1 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.752 HG23 HD13 ' A' ' 44' ' ' ILE . 1.8 p -107.22 129.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -132.3 164.07 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 61' ' ' LYS . 65.9 m-85 -133.05 115.41 15.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -89.4 119.59 29.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -83.24 154.0 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 p -50.83 -179.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -112.48 143.51 29.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.741 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 31' ' ' ASN . 54.1 Cg_endo -69.72 -13.91 35.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.376 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' PRO . 12.2 m-20 -36.01 -54.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -118.5 116.67 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' C ' HD22 ' A' ' 34' ' ' LEU . 6.6 mm-40 -62.24 -50.78 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -101.82 152.93 38.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.77 146.71 82.95 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.356 -0.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -72.14 76.98 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 144.84 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 10.4 m-85 -93.71 136.47 33.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 17.1 mm -133.86 121.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.6 m -117.4 122.55 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -103.65 107.9 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.18 105.17 10.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -109.49 137.89 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.752 HD13 HG23 ' A' ' 23' ' ' VAL . 4.5 mm -110.01 106.8 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.71 43.41 99.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 71.08 26.87 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.6 m -123.84 134.99 53.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -78.56 121.57 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.04 -60.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.03 154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 t -135.56 159.13 42.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.56 150.99 19.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' CD1' ' A' ' 39' ' ' ILE . 96.0 p -132.94 131.59 41.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.3 177.36 38.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 56' ' ' THR . 28.4 m -64.63 -44.11 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.469 ' N ' HG23 ' A' ' 55' ' ' VAL . 24.2 m -112.71 148.94 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 48.1 tttm -43.15 -60.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -39.03 -64.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.69 -44.07 3.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -66.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.572 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 29.7 tttt -41.38 -48.35 3.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.547 HE21 HG21 ' A' ' 9' ' ' ILE . 24.8 mt-30 -50.67 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.9 mt -43.78 -48.81 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -35.14 -48.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -61.04 -48.83 79.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' ALA . 48.0 tttt -36.95 -67.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -55.13 -45.43 75.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.6 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 11' ' ' LEU . 11.3 t80 -53.35 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -38.2 -47.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -51.96 -51.3 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.841 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -60.96 -45.98 92.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.2 mt -49.92 -30.18 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -91.06 -55.17 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 m -116.78 86.16 18.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.646 0.736 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.94 17.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.471 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.74 -12.07 32.18 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.349 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -95.7 166.42 11.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 79' ' ' THR . 7.6 t -65.48 122.51 17.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.39 130.2 42.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 157.68 -143.92 10.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 p -112.76 -32.02 6.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 111.127 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 56.46 38.9 30.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.05 149.16 24.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -15.53 37.2 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.0 m -115.97 159.96 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 t -82.27 134.47 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -62.15 -45.67 92.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -94.71 -55.17 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.24 158.63 10.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -54.69 154.38 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m 44.19 44.6 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.52 39.08 3.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -42.29 -29.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.0 mm -34.33 -39.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.87 -28.18 12.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 17.6 mt -46.1 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 69' ' ' TYR . 39.0 t -48.06 -59.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' VAL . 43.6 m-20 -34.84 -56.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -73.94 -30.38 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CZ ' ' HE3' ' A' ' 19' ' ' LYS . 13.0 t80 -57.29 -51.9 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -62.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -46.86 -55.23 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -52.68 -40.87 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HE3' ' CZ ' ' A' ' 15' ' ' PHE . 39.4 mttt -89.56 20.26 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 43.56 35.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 mt -96.29 174.24 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.599 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.7 m -113.54 118.67 35.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 1.9 p -114.98 126.39 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.65 152.56 45.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 66.6 m-85 -124.59 99.89 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -88.34 138.99 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 25' ' ' TYR . 10.4 mp0 -112.92 135.85 53.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -135.75 145.34 46.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -123.55 142.69 39.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -163.98 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -55.96 178.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -79.42 73.44 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -140.34 128.67 22.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 1.7 mm? -90.04 156.81 46.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.578 0.704 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.2 Cg_endo -69.83 176.57 32.29 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.323 -0.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -87.01 116.83 25.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -88.84 120.81 30.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 57' ' ' LYS . 12.8 m-85 -86.94 109.04 19.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.3 mt -114.01 118.72 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -109.18 153.05 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HG2' HG23 ' A' ' 51' ' ' THR . 15.5 mttp -136.61 121.87 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 3.1 t -87.89 115.57 25.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HZ3' ' HB2' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -121.81 128.6 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 22' ' ' SER . 6.1 mt -119.02 119.33 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.78 44.18 98.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 62.92 25.02 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.9 m -124.43 139.38 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -83.31 130.82 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE2' HD23 ' A' ' 72' ' ' LEU . 28.4 m-85 -121.79 -59.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.92 161.51 25.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.468 HG23 ' HG2' ' A' ' 41' ' ' LYS . 24.0 m -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.59 150.02 19.26 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 p -142.25 116.76 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.19 -172.57 19.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -85.01 -18.7 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -130.1 132.22 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 29.2 tttt -37.31 -50.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -52.87 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -40.23 -50.89 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -58.76 -68.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 24.0 ttpt -34.63 -61.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -38.87 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 mt -42.51 -43.39 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -42.91 -39.4 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -66.41 -52.68 44.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -38.49 -59.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.78 -35.43 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -65.06 -61.23 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.597 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 41.9 t80 -36.11 -63.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.777 ' HA ' HD12 ' A' ' 73' ' ' LEU . 28.7 mm-40 -57.74 -31.79 66.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ALA . 14.1 tppt? -72.08 -27.35 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.559 HD23 ' CE2' ' A' ' 49' ' ' TYR . 12.0 mt -79.61 -38.73 33.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.777 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.5 mt -64.12 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -96.2 -47.43 6.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m -122.2 86.11 47.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.652 0.739 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 170.03 17.52 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.238 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.77 -7.78 21.94 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -55.84 88.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 t -91.64 -25.72 19.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.96 -51.11 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.0 150.77 5.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.0 p -57.63 170.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.108 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.3 p -104.14 175.74 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.58 147.12 16.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 127.7 15.01 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 p 43.96 45.06 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.9 t -118.22 -44.45 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.438 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -166.43 170.63 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -88.32 49.15 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 117.33 1.26 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -65.05 164.15 13.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -110.25 57.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.39 -179.04 2.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.707 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -92.67 -30.64 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.767 HG21 ' CD ' ' A' ' 62' ' ' GLN . 19.4 mm -33.92 -41.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.22 -32.23 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.038 HD13 ' CE2' ' A' ' 69' ' ' TYR . 13.2 mt -34.41 -46.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 68' ' ' ALA . 46.7 t -65.92 -60.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' VAL . 20.6 m-80 -35.68 -39.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 m -87.27 -41.21 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.933 ' CD1' HD13 ' A' ' 72' ' ' LEU . 5.9 t80 -49.97 -39.21 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.31 -69.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.53 -50.78 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 3.1 mptt -56.72 -38.36 72.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 13.1 mptt -95.15 20.38 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 16.7 pttm 43.67 40.41 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.82 175.74 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 m -121.67 120.3 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.706 HG23 HD13 ' A' ' 44' ' ' ILE . 1.6 p -103.46 141.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -130.88 142.11 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -123.84 99.18 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.21 135.1 34.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.73 103.76 9.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 m -122.17 -178.7 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.83 143.86 37.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.744 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 31' ' ' ASN . 53.8 Cg_endo -69.75 140.07 41.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -35.5 -65.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 m -42.52 113.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -42.35 -68.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -112.68 155.79 43.41 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.7 172.65 47.82 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.331 -0.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -114.22 100.72 8.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 170.44 9.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 23.4 m-85 -86.35 133.82 33.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.0 mm -129.81 129.61 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 21.2 m -121.29 149.11 43.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 117.65 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.4 t -95.69 107.13 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -110.29 140.34 44.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.706 HD13 HG23 ' A' ' 23' ' ' VAL . 3.7 mm -113.65 104.18 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.77 50.62 46.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 61.76 25.3 15.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.0 m -124.35 132.27 53.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 ttt -70.96 120.17 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.472 ' CD2' HG13 ' A' ' 44' ' ' ILE . 5.1 m-85 -114.39 -61.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.96 142.1 11.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -120.69 115.99 24.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.128 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.6 145.4 17.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -140.94 142.14 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 -168.37 35.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -94.06 -22.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' LYS . 1.7 m -125.38 138.09 54.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 25.3 mtpp -36.7 -58.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -42.38 -63.04 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -38.79 -60.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' A' ' 40' ' ' CYS . . . -61.19 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -42.63 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.767 ' CD ' HG21 ' A' ' 9' ' ' ILE . 41.0 mm-40 -82.93 -70.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' ALA . 7.3 mt -47.76 -46.74 30.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -36.12 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -83.48 -48.21 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' LEU . 42.8 tttm -37.33 -43.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.17 -46.79 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -49.37 -52.89 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 1.038 ' CE2' HD13 ' A' ' 11' ' ' LEU . 28.5 t80 -46.67 -44.99 19.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.79 -43.79 97.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -50.93 -33.97 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.933 HD13 ' CD1' ' A' ' 15' ' ' PHE . 13.8 mt -73.92 -51.14 17.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.22 -28.92 12.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -82.42 -62.35 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -126.54 86.21 58.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 168.73 20.78 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.75 175.0 8.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -117.99 161.86 19.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 79' ' ' THR . 14.8 t -67.73 123.17 19.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.66 126.87 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 172.12 114.84 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.5 m -113.84 -48.25 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 m -118.67 177.0 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.69 73.16 0.4 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -33.04 17.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.36 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 t -41.09 107.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 m -48.89 135.64 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -95.3 -52.12 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 p -154.56 119.0 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.07 -152.91 8.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -125.0 170.73 10.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -94.49 141.3 28.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.53 75.59 1.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.749 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -92.04 -30.87 15.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.794 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.523 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 20.3 mm -33.96 -35.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -94.11 -34.57 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.422 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 8' ' ' TYR . 18.5 mt -38.69 -45.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.13 -59.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -39.31 -52.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 18.2 m -71.21 -60.99 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.674 ' CE1' HD13 ' A' ' 72' ' ' LEU . 41.7 t80 -36.5 -57.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.05 -65.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -51.8 -47.86 64.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -54.65 -38.34 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -92.21 18.09 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 49.12 31.05 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.1 173.67 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -117.58 120.56 38.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -103.53 131.44 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -127.02 153.22 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -132.05 101.0 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -89.43 137.86 31.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -113.7 139.83 48.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 m -89.57 168.1 12.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -81.23 151.57 69.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 106.28 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -84.23 149.72 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 33' ' ' GLU . 32.5 t -52.22 -39.68 60.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 2.2 pp20? -35.28 121.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 92.3 mt -110.61 153.07 43.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.563 0.697 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.76 167.26 71.67 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.313 -0.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.49 ' HG3' ' CD2' ' A' ' 34' ' ' LEU . 97.6 mt-30 -75.26 117.81 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.45 131.16 53.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -82.05 154.46 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 53' ' ' SER . 3.2 mm -129.81 147.46 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.72 105.99 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 3.8 ttmp? -93.26 114.13 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -83.86 113.38 20.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 47' ' ' THR . 13.3 mmmt -113.32 118.57 34.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.64 HD13 HG23 ' A' ' 23' ' ' VAL . 3.4 mm -94.29 105.59 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.84 44.46 92.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 71.79 25.43 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.935 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.423 ' C ' ' HD2' ' A' ' 43' ' ' LYS . 30.4 m -124.38 113.97 18.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -65.5 109.75 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' CE2' ' HB ' ' A' ' 44' ' ' ILE . 12.3 m-85 -104.56 -56.97 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.37 166.17 30.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -141.97 156.23 45.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.06 160.43 23.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' HD13 ' A' ' 39' ' ' ILE . 96.6 p -145.74 134.96 22.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' HA3' ' CG ' ' A' ' 59' ' ' GLU . . . -166.72 153.46 23.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -48.79 -24.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.121 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -127.17 144.89 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -39.62 -64.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLU . 2.4 tp-100 -38.99 -66.14 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' GLN . 10.6 tp10 -34.47 -47.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -71.43 -69.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -38.7 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HA ' HG23 ' A' ' 9' ' ' ILE . 28.2 mt-30 -70.83 -70.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.8 -35.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -73.49 -44.69 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 8' ' ' TYR . 36.2 tttm -42.87 -64.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -59.35 -46.05 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.03 -45.19 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 73' ' ' LEU . 43.3 t80 -61.12 -59.62 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -42.87 -43.12 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -59.2 -54.3 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.674 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -52.57 -39.63 61.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 69' ' ' TYR . 74.6 mt -60.0 -29.16 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -83.91 -51.07 7.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.3 p -129.63 86.19 56.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 166.43 27.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.76 -33.61 16.25 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -92.17 168.56 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 79' ' ' THR . 19.5 m -111.67 44.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -56.6 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.01 145.59 4.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 p -60.44 -34.76 74.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 p 50.06 41.84 23.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.07 165.33 22.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.72 -5.86 17.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.707 2.272 . . . . 0.0 112.311 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 85' ' ' PRO . 2.5 m -34.6 -47.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -112.34 86.05 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 p -125.32 166.83 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -85.36 153.13 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.28 160.73 9.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -105.94 138.97 41.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 8' ' ' TYR . 75.7 m -138.29 170.64 15.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.64 67.96 0.3 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.654 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -63.48 -29.07 70.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.792 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.579 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 32.2 mm -34.47 -39.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.37 -26.98 14.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.887 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 15.4 mt -46.65 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 68' ' ' ALA . 21.4 t -43.01 -58.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -39.63 -51.76 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' PHE . 64.3 m -73.31 -62.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 6.8 t80 -33.77 -51.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.96 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -50.23 -49.42 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' HB3' ' A' ' 14' ' ' SER . 30.4 mttm -53.63 -39.47 65.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mptt -91.84 19.82 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm 45.86 37.71 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.2 mt -97.72 175.06 6.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.59 118.35 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.651 HG23 ' CD1' ' A' ' 44' ' ' ILE . 1.6 p -102.57 130.39 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -125.97 148.36 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.69 110.36 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.36 138.16 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -110.3 143.44 40.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.8 m -104.19 167.18 9.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -126.28 154.27 74.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -0.23 6.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 m120 64.26 30.18 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m 56.2 48.9 16.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -171.73 125.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 3.9 mm? -71.95 159.1 86.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 54.5 Cg_endo -69.76 176.82 31.04 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.355 -0.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -125.1 126.71 45.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HE ' HD11 ' A' ' 39' ' ' ILE . 16.7 ttp-105 -129.59 151.15 50.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -101.46 118.61 37.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.407 HD11 ' HE ' ' A' ' 37' ' ' ARG . 65.6 mt -122.2 127.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.04 124.43 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HG2' HG23 ' A' ' 51' ' ' THR . 26.4 mttp -106.33 129.12 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 15.1 p -96.88 119.41 35.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -122.71 139.68 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 23' ' ' VAL . 3.7 mm -121.61 105.68 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 46' ' ' GLN . . . 66.39 64.7 3.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 20.0 pt20 47.26 25.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -125.27 141.46 52.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -81.57 125.14 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.7 m-85 -115.33 -60.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.38 165.95 26.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.675 HG23 ' HG2' ' A' ' 41' ' ' LYS . 90.5 m -144.02 113.79 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.75 146.16 16.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.3 p -140.93 122.22 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.99 -178.43 24.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.7 m -79.56 -18.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -132.39 141.51 48.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -42.67 -45.53 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -60.01 -47.12 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -55.12 -48.18 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -69.6 -71.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 60' ' ' ALA . 18.7 ttpp -34.6 -46.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' HG2' HG21 ' A' ' 9' ' ' ILE . 10.3 mt-30 -57.25 -72.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 64' ' ' ALA . 10.1 mt -39.1 -53.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.97 -58.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -45.97 -53.6 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -43.86 -49.14 8.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -63.24 -55.66 23.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -47.86 -42.81 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.887 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 34.4 t80 -55.63 -60.57 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -40.66 -54.88 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -52.12 -52.21 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 15' ' ' PHE . 11.5 mt -49.33 -47.36 47.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 10.0 mt -55.78 -34.32 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -78.33 -56.81 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.1 m -126.92 86.06 59.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.713 0.768 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 168.53 21.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 151.69 69.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -128.29 150.92 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -121.91 138.67 54.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.46 -58.84 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.67 65.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -109.34 124.72 51.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.165 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -144.54 135.71 25.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.72 175.51 30.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.87 69.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.0 p -73.22 164.35 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.3 t -97.77 -60.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -77.38 81.0 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 p -76.16 137.4 40.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.71 -61.7 0.32 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -71.53 121.54 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -108.44 124.0 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.82 74.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -96.04 -30.65 13.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.497 HG21 ' HG2' ' A' ' 62' ' ' GLN . 19.9 mm -34.65 -40.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.94 -27.7 18.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.771 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 20.9 mt -46.53 -61.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' ASN . 38.4 t -43.78 -61.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 6.4 m-80 -34.61 -72.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 5.5 m -55.92 -56.15 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 19' ' ' LYS . 7.8 t80 -35.68 -63.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.35 -61.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -48.61 -50.21 33.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -53.52 -37.48 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 8.3 mptt -94.26 22.18 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 10.3 ptpt 44.19 32.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.47 176.34 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.25 139.4 52.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 44' ' ' ILE . 1.3 p -123.37 129.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -121.42 149.51 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -124.85 97.89 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -84.89 138.96 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -115.76 108.8 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 p -38.36 157.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -102.01 142.96 25.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.727 . . . . 0.0 110.956 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -166.47 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 59.42 41.27 19.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.6 m -133.16 -39.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -162.07 155.11 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.549 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 11.5 mt -124.37 150.89 65.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.76 -178.96 17.86 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.383 -0.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.24 110.91 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -105.05 133.17 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -86.01 119.86 26.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.96 130.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 t -120.5 116.07 24.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.648 ' HG2' HG23 ' A' ' 51' ' ' THR . 33.4 mtmt -101.66 130.99 48.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.4 t -102.43 112.08 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -111.15 133.81 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.529 HD13 HG23 ' A' ' 23' ' ' VAL . 5.3 mm -101.61 101.77 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.09 49.28 76.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 68.95 25.43 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 m -123.36 131.98 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 ttt -76.29 114.01 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.36 -60.85 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.54 148.53 20.16 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 41' ' ' LYS . 18.8 m -125.93 112.83 16.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.93 147.6 18.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 p -136.75 139.3 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.01 161.77 34.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.66 -26.91 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m -120.32 144.52 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -45.25 -61.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' GLU . 34.5 tt0 -42.99 -67.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLN . 25.7 tt0 -36.56 -50.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -65.17 -72.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.2 ttpt -36.87 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.497 ' HG2' HG21 ' A' ' 9' ' ' ILE . 31.6 mt-30 -70.94 -67.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -47.81 -48.28 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.02 -37.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -69.66 -47.82 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.056 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -39.22 -60.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -59.27 -52.39 65.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.34 -42.04 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CE2' HD11 ' A' ' 73' ' ' LEU . 78.6 t80 -60.63 -50.49 73.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.661 ' HA ' HD12 ' A' ' 73' ' ' LEU . 66.7 mm-40 -53.78 -45.23 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -52.65 -46.54 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' CD2' ' HD3' ' A' ' 77' ' ' PRO . 12.5 mt -61.49 -48.21 82.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.831 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.3 mt -54.92 -30.7 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -84.73 -62.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.9 m -120.87 86.11 40.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.76 20.59 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.482 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.77 -16.75 37.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER 34.4 47.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -106.13 142.13 36.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.84 -44.81 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.51 -63.88 1.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t 39.83 40.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.1 t -77.55 -49.5 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.61 -95.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.13 22.69 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.4 t -154.93 140.85 18.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.6 t -102.97 135.92 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -40.99 110.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -77.43 83.25 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.85 179.88 48.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -120.32 141.53 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' GLY . 43.6 t -173.52 130.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.22 112.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -84.41 -31.45 24.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.468 HG23 ' HA ' ' A' ' 62' ' ' GLN . 20.3 mm -34.06 -41.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.01 -29.88 9.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 8' ' ' TYR . 18.7 mt -39.67 -57.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 29.3 t -50.68 -63.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.5 m-80 -34.55 -66.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' PHE . 12.1 t -57.22 -57.43 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CE1' HD13 ' A' ' 72' ' ' LEU . 13.5 t80 -34.55 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.89 -65.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -45.69 -52.45 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -51.29 -40.11 58.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HB2' HD12 ' A' ' 21' ' ' LEU . 53.6 mttt -93.65 23.14 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 40.38 39.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 19' ' ' LYS . 8.1 mt -97.58 170.06 9.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -109.93 114.65 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.843 HG23 HD13 ' A' ' 44' ' ' ILE . 1.9 p -109.13 131.76 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -128.64 161.04 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 94.7 m-85 -132.29 103.62 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.74 137.26 32.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -123.01 134.41 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -108.72 151.52 26.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -84.34 149.8 55.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.2 Cg_endo -69.72 -33.61 16.39 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.368 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' PRO . 18.5 t-20 -37.31 -31.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' PRO . 2.5 m -97.81 -65.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -78.3 115.18 17.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 3.6 mp -115.23 160.87 32.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.649 0.738 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 154.02 93.14 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.339 -0.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -38.29 96.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' NE ' HD11 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -134.12 165.55 24.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -97.09 137.72 35.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.517 HD11 ' NE ' ' A' ' 37' ' ' ARG . 36.8 mt -140.39 144.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.39 116.18 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.64 121.85 41.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -91.6 115.11 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -112.63 146.78 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.843 HD13 HG23 ' A' ' 23' ' ' VAL . 3.2 mm -122.68 102.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.69 43.43 75.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 68.45 26.42 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -124.36 135.3 53.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -77.0 123.78 26.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -118.03 -61.18 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.43 170.72 31.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -149.65 162.96 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -131.72 156.02 21.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.4 p -140.71 128.05 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.1 -176.38 35.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.88 -33.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.2 m -120.63 135.68 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' THR . 37.1 ttpt -37.56 -56.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -43.49 -60.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -44.83 -39.16 5.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.92 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 29.6 tttm -45.25 -39.73 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.468 ' HA ' HG23 ' A' ' 9' ' ' ILE . 29.2 mt-30 -56.2 -65.16 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.84 -42.76 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.25 -27.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -79.29 -53.08 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 27.7 tttt -36.24 -51.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.3 -47.57 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -52.27 -32.4 37.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.599 ' CE2' HD11 ' A' ' 73' ' ' LEU . 47.5 t80 -66.07 -55.48 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.97 -43.54 70.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -52.8 -35.34 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.641 HD13 ' CE1' ' A' ' 15' ' ' PHE . 13.4 mt -75.71 -47.65 25.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.599 HD11 ' CE2' ' A' ' 69' ' ' TYR . 47.0 mt -53.2 -27.71 23.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.99 -51.28 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.2 m -120.28 86.14 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 162.19 43.01 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.51 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.77 138.07 36.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -111.27 99.49 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.7 p -120.91 99.25 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.57 134.74 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.58 -141.78 15.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -169.4 154.44 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 111.149 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 t -61.89 143.35 56.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.69 144.42 19.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 90.57 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -61.01 136.9 58.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.1 m -83.69 119.09 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -46.01 125.29 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -143.09 126.42 16.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.63 119.0 3.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -70.08 102.3 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -99.37 -41.42 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.72 52.64 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -45.1 -30.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.572 HG21 ' HG2' ' A' ' 62' ' ' GLN . 17.5 mm -33.28 -43.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.8 -30.41 15.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.831 HD13 ' CE2' ' A' ' 69' ' ' TYR . 26.7 mt -43.59 -33.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -77.59 -65.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -41.89 -26.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -95.68 -46.02 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' ' 72' ' ' LEU . 78.0 t80 -55.15 -45.92 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -61.49 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -51.87 -46.69 64.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -57.71 -32.23 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -98.64 20.42 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.5 35.32 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.743 HD11 ' HG3' ' A' ' 77' ' ' PRO . 13.7 mt -93.06 175.35 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' ILE . 2.5 m -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -103.86 130.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -126.01 159.27 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.17 101.96 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG3' ' CE ' ' A' ' 43' ' ' LYS . 4.9 mm-40 -84.26 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -108.61 128.55 54.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -61.56 157.22 17.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.41 146.08 56.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' ASN . 53.9 Cg_endo -69.77 -1.74 8.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' PRO . 20.0 t30 -36.99 -42.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.9 t -62.55 161.17 12.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -87.44 -175.03 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -82.68 158.8 64.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.94 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.72 137.63 44.79 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.339 -0.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -104.57 114.82 29.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.449 ' HD2' HD11 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.4 177.3 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -91.91 129.16 37.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.449 HD11 ' HD2' ' A' ' 37' ' ' ARG . 3.0 mp -121.11 144.45 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.6 p -145.11 135.55 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -119.84 107.91 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 2.0 t -71.83 112.79 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' CE ' ' HG3' ' A' ' 26' ' ' GLU . 44.0 mttt -122.58 129.51 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 22' ' ' SER . 1.8 mt -119.92 112.41 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.12 46.02 89.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 62.18 25.02 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 m -124.58 131.25 53.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 ttt -77.69 129.79 35.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -121.57 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.58 158.93 24.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -144.49 118.15 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.97 159.94 13.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.6 p -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.34 173.38 28.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.8 m -61.84 -41.17 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 m -112.47 146.63 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -41.18 -53.01 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' GLU . 13.0 mt-30 -45.4 -65.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 3.0 tp10 -38.57 -43.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' SG ' ' A' ' 40' ' ' CYS . . . -74.92 -71.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -42.67 -23.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.572 ' HG2' HG21 ' A' ' 9' ' ' ILE . 3.8 mt-30 -78.46 -72.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.9 mt -41.61 -50.57 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.595 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . . . -34.13 -56.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -53.47 -54.79 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' ALA . 80.5 tttt -36.48 -61.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.25 -39.99 76.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.66 -58.04 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CE2' HD13 ' A' ' 11' ' ' LEU . 17.5 t80 -41.88 -65.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -53.55 -26.59 21.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.8 tmtp? -81.15 -27.67 35.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 15' ' ' PHE . 12.0 mt -86.19 -24.22 26.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.01 -36.57 83.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -101.36 -33.19 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -121.31 86.14 43.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.644 0.735 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 169.74 18.13 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.743 ' HG3' HD11 ' A' ' 21' ' ' LEU . 53.5 Cg_endo -69.74 174.88 8.84 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.52 -62.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.2 m -77.09 139.95 40.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.13 169.45 17.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -149.17 -68.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 82' ' ' THR . 15.6 m 54.89 34.67 22.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 0.0 111.15 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 p -109.4 102.16 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 170.8 85.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 157.74 59.29 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.2 t -167.52 166.04 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -92.04 41.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -63.63 -57.53 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -162.77 144.01 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.18 -128.97 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 m -67.78 152.51 45.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -97.31 144.29 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.17 48.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -93.75 -31.83 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.796 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' TYR . 21.0 mm -34.71 -38.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.82 -26.92 13.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.9 HD13 ' CE2' ' A' ' 69' ' ' TYR . 26.9 mt -46.83 -52.11 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 69' ' ' TYR . 25.6 t -56.68 -59.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 5.1 m-80 -34.69 -55.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -70.01 -47.5 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.552 ' CE1' ' HD3' ' A' ' 19' ' ' LYS . 6.1 t80 -41.69 -67.64 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.01 -60.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -50.67 -47.2 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -56.57 -37.79 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 6.5 mptt -95.17 20.74 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 46.48 33.39 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 ' HG3' ' A' ' 77' ' ' PRO . 10.3 mt -96.71 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.26 124.76 52.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' CD1' ' A' ' 44' ' ' ILE . 3.0 p -111.01 125.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.59 153.17 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -126.77 101.47 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -96.46 127.5 42.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.37 152.45 35.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.95 155.75 18.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -102.07 144.13 27.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 103.04 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' C ' ' OD1' ' A' ' 31' ' ' ASN . 39.1 t-20 -103.79 69.32 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t 56.77 44.18 23.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.56 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.3 pt-20 -124.85 126.67 45.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 33' ' ' GLU . 3.1 mm? -122.61 158.14 57.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.79 173.8 43.23 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.307 -0.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -77.47 105.4 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.515 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 5.0 ptt85 -122.4 144.35 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.47 119.35 39.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.515 HD11 ' CZ ' ' A' ' 37' ' ' ARG . 17.8 mt -112.72 135.14 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.2 t -131.7 114.01 14.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -102.37 118.59 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -87.02 114.92 24.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -112.4 123.07 49.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.861 ' CD1' HG23 ' A' ' 23' ' ' VAL . 3.6 mm -98.38 109.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.46 50.89 62.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 64.19 25.63 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -124.06 132.78 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 ttt -79.11 113.46 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 11.6 m-85 -106.19 -60.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.44 164.12 29.71 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -144.15 161.42 38.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 111.207 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.39 26.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -150.8 131.69 14.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.83 173.44 35.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -63.4 -30.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -120.53 145.32 47.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -42.11 -62.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLU . 21.6 tt0 -41.31 -60.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' GLN . 11.3 tt0 -35.11 -50.41 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -60.85 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -44.2 -24.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -80.05 -68.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 6.0 mt -45.44 -48.82 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.65 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -74.68 -45.58 43.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 44.1 tttt -41.64 -49.48 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.89 -55.41 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.9 ' CE2' HD13 ' A' ' 11' ' ' LEU . 21.7 t80 -52.81 -59.87 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 73' ' ' LEU . 9.0 mm100 -43.73 -49.16 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -56.06 -40.08 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 77' ' ' PRO . 12.6 mt -66.7 -43.72 83.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.712 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 22.2 mt -60.57 -29.76 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -82.68 -67.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.0 p -123.3 86.12 51.84 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.91 17.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.227 . . . . 0.0 112.378 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.736 ' HG3' HD11 ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.73 129.35 17.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.362 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 79' ' ' THR . 18.2 ttmm -72.22 -47.26 51.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 78' ' ' LYS . 35.8 p -34.04 -58.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.91 135.81 53.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.94 79.45 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 82' ' ' THR . 12.0 t -87.15 124.39 33.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.103 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 t -60.67 -57.68 11.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.17 150.69 11.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.4 Cg_endo -69.79 97.66 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 85' ' ' PRO . 21.0 t 34.38 42.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -142.1 130.36 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -152.65 165.2 35.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.806 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -116.72 43.62 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.55 166.49 14.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -145.1 129.78 18.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -61.27 -39.68 91.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.37 137.89 2.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -71.48 -27.53 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.529 HG21 ' OE1' ' A' ' 62' ' ' GLN . 18.5 mm -37.46 -38.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.74 -28.79 11.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.85 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 19.7 mt -45.08 -63.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 45.7 t -41.02 -62.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 10.8 m-80 -35.01 -60.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' PHE . 21.8 m -63.26 -62.12 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CD1' ' HD3' ' A' ' 19' ' ' LYS . 4.5 t80 -33.88 -54.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.52 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -49.14 -48.29 44.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -55.22 -39.1 69.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -93.19 18.28 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt 49.12 30.06 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.407 HD11 ' HG3' ' A' ' 77' ' ' PRO . 26.3 mt -92.12 174.95 7.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.06 136.64 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -118.86 126.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -116.57 126.44 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.543 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 31.5 m-85 -113.27 100.33 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -95.92 123.99 39.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 25' ' ' TYR . 1.3 mp0 -89.59 153.84 20.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.58 140.91 55.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.25 141.16 57.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.652 0.739 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.22 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -108.83 164.07 12.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.3 p -92.64 38.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -124.31 96.04 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 6.0 mp -80.6 160.09 67.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.0 Cg_endo -69.87 170.73 57.51 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.335 -0.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -98.51 120.76 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.822 ' HE ' HD11 ' A' ' 39' ' ' ILE . 20.6 ttp-105 -121.69 137.05 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -86.96 120.81 28.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.822 HD11 ' HE ' ' A' ' 37' ' ' ARG . 88.5 mt -132.56 121.33 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 t -106.25 157.57 17.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.822 ' HD3' HG23 ' A' ' 51' ' ' THR . 45.7 mmtt -129.97 123.37 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.5 t -99.63 103.74 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -111.81 126.55 55.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.767 ' CD1' HG23 ' A' ' 23' ' ' VAL . 5.5 mm -104.27 105.7 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.93 49.25 49.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 63.42 24.98 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -125.92 135.77 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 tpt -74.94 113.8 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.6 m-85 -104.9 -62.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.87 161.22 24.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.822 HG23 ' HD3' ' A' ' 41' ' ' LYS . 29.6 m -131.71 126.95 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.175 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.31 139.96 14.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -139.13 120.98 15.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.07 -173.78 29.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 m -95.56 -21.78 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -118.41 137.46 53.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -41.29 -60.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -49.87 -56.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -41.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -58.91 -67.2 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -38.63 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.529 ' OE1' HG21 ' A' ' 9' ' ' ILE . 6.0 mt-30 -78.15 -65.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' LYS . 10.6 mt -44.89 -47.59 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.94 -40.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.35 -46.73 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' LEU . 3.0 ttmp? -45.45 -34.41 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -81.17 -42.14 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.26 94.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.85 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 56.9 t80 -50.54 -55.11 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.408 ' HA ' HD12 ' A' ' 73' ' ' LEU . 80.7 mt-30 -50.02 -48.92 52.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -48.6 -39.08 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 15' ' ' PHE . 15.2 mt -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.569 HD11 ' CE2' ' A' ' 69' ' ' TYR . 28.5 mt -49.01 -28.58 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -85.74 -63.91 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.7 p -119.2 86.16 31.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.68 26.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HG3' HD11 ' A' ' 21' ' ' LEU . 53.4 Cg_endo -69.77 -26.2 27.8 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.648 2.232 . . . . 0.0 112.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -114.77 141.52 47.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -82.92 44.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.46 157.17 16.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 38.41 89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -109.94 101.88 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -171.31 125.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.22 99.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 94.93 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -115.98 116.94 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m 62.73 40.45 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.447 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -167.93 171.69 9.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.879 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -111.81 40.11 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.77 -148.75 41.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -54.63 169.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -110.53 -70.34 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.805 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.77 110.95 1.64 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -90.48 -28.78 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.541 HG23 ' HA ' ' A' ' 62' ' ' GLN . 17.9 mm -33.36 -41.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.06 -26.99 12.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 8' ' ' TYR . 21.2 mt -46.77 -48.34 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 69' ' ' TYR . 90.1 t -57.79 -60.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.3 m-80 -34.42 -48.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -77.77 -40.66 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.791 ' CD2' HD13 ' A' ' 72' ' ' LEU . 10.1 t80 -47.91 -62.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.04 -59.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -48.33 -55.0 11.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -52.16 -36.86 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HB2' HD12 ' A' ' 21' ' ' LEU . 35.1 mttm -96.29 23.47 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt 40.37 32.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 19' ' ' LYS . 12.3 mt -92.41 175.15 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 m -118.37 119.77 35.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.648 HG23 HD13 ' A' ' 44' ' ' ILE . 2.5 p -106.83 134.24 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -130.35 141.87 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -120.52 99.34 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.93 142.94 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -124.15 144.29 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -94.62 155.04 17.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -87.52 144.91 36.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.854 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.06 2.98 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -50.66 159.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.9 m -71.29 -14.82 62.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' OE2' HD12 ' A' ' 34' ' ' LEU . 4.8 tp10 -133.74 165.83 24.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.632 ' H ' HD12 ' A' ' 34' ' ' LEU . 4.7 mp -69.42 151.26 96.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.631 0.729 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.75 158.35 91.06 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.368 -0.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -123.75 43.13 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HD2' HD11 ' A' ' 39' ' ' ILE . 1.1 ptp85 -88.18 173.51 8.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -103.02 156.75 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.503 HD11 ' HD2' ' A' ' 37' ' ' ARG . 10.3 mm -143.52 112.54 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.488 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 6.0 m -103.97 147.69 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -134.4 118.47 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.7 t -94.1 112.13 23.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.09 138.56 50.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.648 HD13 HG23 ' A' ' 23' ' ' VAL . 4.5 mm -111.03 111.62 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.72 39.42 97.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 71.9 25.4 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.1 m -124.42 142.4 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -78.26 123.36 26.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 13.5 m-85 -121.2 -58.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.83 137.38 8.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 41' ' ' LYS . 25.1 m -118.21 119.95 36.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.191 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.81 148.11 16.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 1.5 t -136.37 141.59 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.53 165.9 37.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.38 -30.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.958 0.408 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m -120.91 136.14 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -38.74 -53.0 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' GLU . 9.6 tp-100 -44.76 -67.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLN . 4.7 tp10 -37.12 -60.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 40' ' ' CYS . . . -57.76 -66.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.9 tptm -34.27 -43.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.541 ' HA ' HG23 ' A' ' 9' ' ' ILE . 20.1 mt-30 -63.46 -71.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.7 mt -44.75 -53.0 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.91 -39.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -70.36 -51.99 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ALA . 77.2 tttt -37.68 -55.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -45.66 93.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.3 -60.01 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.627 ' CE2' HD13 ' A' ' 11' ' ' LEU . 32.7 t80 -48.23 -55.69 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -47.37 -49.28 24.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -56.45 -38.13 71.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.791 HD13 ' CD2' ' A' ' 15' ' ' PHE . 13.0 mt -68.64 -44.29 74.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.612 HD21 ' CE2' ' A' ' 69' ' ' TYR . 67.3 mt -54.04 -33.67 57.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.66 -62.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 t -109.08 86.16 3.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.737 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 169.41 19.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.497 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.71 176.56 6.57 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -121.07 138.78 54.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.4 p -101.58 89.05 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.44 155.44 46.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.23 82.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -122.09 146.03 47.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.8 p -107.76 168.66 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.57 -174.58 13.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.541 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -177.79 2.03 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 p -131.75 -47.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.9 m -117.15 114.92 24.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -120.83 89.79 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -48.46 -52.78 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.17 -40.16 3.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -94.11 154.29 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -148.86 152.33 36.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' ILE . . . -67.11 81.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.542 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -39.64 -28.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 -179.781 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.831 HG21 ' CD ' ' A' ' 62' ' ' GLN . 17.2 mm -31.86 -42.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -93.94 -31.94 7.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.791 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 12.2 mt -36.41 -59.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -54.33 -62.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' VAL . 15.1 m120 -34.03 -64.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.5 p -62.01 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.829 ' CD1' HD13 ' A' ' 72' ' ' LEU . 27.8 t80 -49.11 -48.07 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -67.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.06 -54.07 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -53.76 -41.78 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.9 mptt -90.98 17.6 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 44.11 35.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.873 HD21 ' HB3' ' A' ' 77' ' ' PRO . 12.7 mt -91.64 176.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -117.46 109.57 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -108.07 133.01 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -130.36 133.52 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.04 106.57 10.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -105.66 158.6 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -127.48 120.87 29.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.3 143.12 40.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -100.56 158.69 31.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 92.17 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -102.5 46.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.8 m 67.68 48.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -131.67 92.97 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 5.9 mp -99.74 152.88 37.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.701 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.71 144.19 75.85 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.326 -0.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -75.66 109.77 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -116.12 159.36 21.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -91.42 119.3 31.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' GLY . 58.2 mt -127.92 137.78 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -126.29 115.15 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -88.46 126.83 35.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 29.6 p -108.82 106.92 17.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -116.1 138.94 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -119.7 107.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.53 37.82 62.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 70.49 25.03 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.8 m -125.57 134.37 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.8 ttt -71.77 119.72 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.487 ' CD2' ' HG2' ' A' ' 71' ' ' LYS . 5.4 m-85 -110.66 -53.18 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.496 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -150.08 168.97 30.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -143.29 108.17 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -83.72 146.92 23.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.2 p -150.56 122.98 8.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.66 -175.48 29.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -72.95 -32.04 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.384 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.8 m -120.16 132.82 55.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -37.96 -58.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -43.85 -49.74 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.62 -38.73 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.64 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -45.37 -36.29 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.831 ' CD ' HG21 ' A' ' 9' ' ' ILE . 6.9 mm100 -60.84 -57.03 14.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.3 mt -60.91 -47.57 85.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.01 -47.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -46.21 77.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 63' ' ' LEU . 18.1 tttp -38.5 -54.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.78 -54.18 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -41.56 -46.22 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.791 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 84.9 t80 -46.34 -58.97 3.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -47.32 -49.3 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -51.53 -54.73 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.829 HD13 ' CD1' ' A' ' 15' ' ' PHE . 11.7 mt -49.25 -44.86 44.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 ' CE2' ' A' ' 69' ' ' TYR . 72.1 mt -59.02 -28.24 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -77.54 -52.07 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -134.8 85.54 35.46 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.16 17.23 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.873 ' HB3' HD21 ' A' ' 21' ' ' LEU . 53.9 Cg_endo -69.75 122.9 9.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -65.79 -51.01 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 m -114.54 134.24 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -94.12 55.53 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.03 140.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.2 m -99.33 131.4 45.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -57.94 165.83 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.82 -150.61 13.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.25 6.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 m -153.87 169.91 22.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 p 42.13 41.68 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -77.56 85.25 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -155.03 161.57 41.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.76 158.89 14.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.437 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -135.75 164.9 26.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.366 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 t -111.21 103.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.03 119.71 0.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -97.93 -29.63 13.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 -179.807 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.55 HD13 ' HG3' ' A' ' 66' ' ' LYS . 16.0 mm -33.1 -40.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.23 -31.18 8.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.6 mt -38.87 -54.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -53.54 -60.42 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 12' ' ' VAL . 23.7 m-20 -34.98 -53.28 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.9 m -72.07 -40.6 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' A' ' 72' ' ' LEU . 3.1 t80 -45.84 -61.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.35 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -42.77 -50.6 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -54.67 -42.16 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -93.41 22.27 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.24 30.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 77' ' ' PRO . 10.5 mt -92.41 176.2 6.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.87 140.46 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.755 HG23 HD13 ' A' ' 44' ' ' ILE . 1.2 p -123.0 135.12 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -129.31 138.82 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 75.9 m-85 -112.77 97.27 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -85.4 139.5 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -115.94 155.77 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -66.04 154.35 39.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 1.1 pp20? -75.77 146.03 79.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.661 0.743 . . . . 0.0 110.889 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 102.22 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.376 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -107.9 144.74 34.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m -91.87 30.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -107.2 102.58 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 50.1 mt -72.71 154.61 91.28 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 54.2 Cg_endo -69.76 177.25 29.53 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.362 -0.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.09 127.71 55.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -133.63 159.33 40.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 12.9 m-85 -108.21 129.64 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 11.1 mm -135.52 129.39 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.08 154.93 40.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' A' ' 51' ' ' THR . 36.9 mttp -137.23 128.2 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -96.06 113.5 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -113.4 132.01 55.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.755 HD13 HG23 ' A' ' 23' ' ' VAL . 13.4 mm -99.39 108.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.34 45.17 96.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 70.27 26.27 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -124.39 134.89 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -76.01 117.63 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 12.8 m-85 -115.36 -61.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.61 149.17 20.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.58 HG23 ' HG2' ' A' ' 41' ' ' LYS . 21.5 m -125.54 132.22 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 111.17 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -115.01 135.1 12.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.452 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 69.4 p -125.51 134.36 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.43 149.33 15.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -42.94 -37.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -114.93 147.79 39.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 22.9 tttm -48.14 -60.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' GLU . 50.1 tp60 -43.86 -68.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 28.7 tt0 -37.13 -43.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.45 -68.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.492 ' HE3' ' CD2' ' A' ' 25' ' ' TYR . 55.8 tttt -35.06 -40.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.548 ' HA ' HG23 ' A' ' 9' ' ' ILE . 27.9 mt-30 -58.41 -70.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . 5.9 mt -43.96 -43.65 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -36.23 -38.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -73.21 -43.78 60.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 9' ' ' ILE . 16.5 mtpp -47.9 -38.3 16.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -81.0 -42.14 21.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.08 79.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 73' ' ' LEU . 65.5 t80 -50.13 -49.07 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.878 ' HA ' HD12 ' A' ' 73' ' ' LEU . 14.1 mm100 -55.84 -52.98 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.84 -47.24 31.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -59.76 -52.51 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' A' ' 70' ' ' GLN . 19.7 mt -43.7 -39.78 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -81.68 -61.12 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -110.98 86.19 5.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.682 0.754 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 168.36 21.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.292 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.568 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.75 -173.91 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -131.72 107.11 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -113.25 -23.6 9.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 45.98 43.91 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -164.6 67.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.0 p -152.68 150.53 29.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' GLY . 58.6 p -68.11 120.34 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -35.0 120.91 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.41 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -147.36 111.8 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.9 t -91.91 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -73.94 136.12 43.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -53.5 -48.79 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.81 178.57 16.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -117.21 144.42 44.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -163.63 157.91 19.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.65 116.6 7.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.671 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -86.96 -31.02 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.917 -179.816 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.8 mm -34.26 -38.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.3 -28.51 11.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 8' ' ' TYR . 16.7 mt -43.87 -58.96 2.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' PHE . 40.5 t -47.27 -62.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 56.9 m-20 -34.88 -35.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' VAL . 3.1 t -89.71 -37.58 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.0 t80 -57.02 -54.67 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -56.18 -50.27 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.94 -36.72 50.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' CB ' HD12 ' A' ' 21' ' ' LEU . 29.5 mttm -93.7 22.31 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 45.21 32.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 19' ' ' LYS . 11.6 mt -101.84 176.01 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.89 135.0 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.601 HG23 HD11 ' A' ' 44' ' ' ILE . 1.3 p -114.81 136.1 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -135.49 153.53 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -132.57 107.12 8.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 41' ' ' LYS . 4.9 pt-20 -96.42 158.3 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 28' ' ' CYS . 31.6 tt0 -124.1 150.04 45.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 6.3 p -43.82 155.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.21 156.15 79.2 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 31' ' ' ASN . 54.3 Cg_endo -69.7 2.91 3.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' PRO . 47.3 m-20 -34.32 125.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.0 t -66.34 97.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.53 123.32 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 75.1 mt -105.69 154.54 39.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.74 -178.81 17.52 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.3 -0.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -135.42 114.7 12.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.02 169.12 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 57' ' ' LYS . 12.5 m-85 -81.56 116.67 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 18.6 mm -125.66 140.66 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.87 156.99 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -139.8 122.36 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 45.9 t -86.29 112.53 21.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.506 ' C ' HD12 ' A' ' 44' ' ' ILE . 42.8 mtpt -119.16 125.65 49.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.601 HD11 HG23 ' A' ' 23' ' ' VAL . 1.1 mp -104.89 108.85 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.63 52.46 48.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 4.5 mp0 61.05 25.19 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.3 m -123.94 123.62 40.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.4 ' CE ' ' HG2' ' A' ' 41' ' ' LYS . 3.0 ttt -77.26 121.22 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -112.98 -59.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.32 155.13 23.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.548 HG23 ' HG3' ' A' ' 41' ' ' LYS . 82.1 m -119.01 129.08 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.606 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -110.29 111.97 3.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.496 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.462 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -113.7 138.22 50.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.855 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.26 -169.87 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.8 -18.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.398 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' LYS . 4.0 m -131.2 132.51 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -34.37 -59.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -50.66 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.78 -55.24 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -51.6 -62.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 1.1 ttpm? -44.7 -52.93 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -42.55 -63.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.6 mt -50.94 -46.61 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -36.31 -41.25 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -66.13 -62.76 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 66.8 tttt -35.96 -36.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.65 -50.6 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.39 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.642 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 59.3 t80 -45.67 -54.52 7.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' LEU . 51.7 mm-40 -55.99 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -38.91 -39.77 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.452 ' CD2' ' HD3' ' A' ' 77' ' ' PRO . 9.9 mt -65.52 -42.26 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' GLN . 83.5 mt -62.29 -31.65 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -79.72 -65.72 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -124.81 86.16 56.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.68 0.752 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 169.87 17.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.77 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 0.0 112.298 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -122.16 95.87 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.5 m -42.0 122.98 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.68 116.49 19.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.83 -119.12 4.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 83' ' ' SER . 82.4 p -99.34 164.15 12.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.809 0.338 . . . . 0.0 111.107 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' THR . 2.8 m -35.64 -62.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 85' ' ' PRO . . . 170.27 94.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HD2' ' HA2' ' A' ' 84' ' ' GLY . 53.2 Cg_endo -69.8 -43.72 2.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.9 p -89.28 162.95 15.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -128.81 42.24 3.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -87.7 106.58 18.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.817 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 p -72.45 169.54 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.33 88.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -110.98 98.4 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.807 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -41.99 -49.03 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.32 128.41 0.95 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.591 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -78.28 -30.58 48.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.528 HG21 ' HG2' ' A' ' 62' ' ' GLN . 19.3 mm -33.6 -41.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.088 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.76 -27.08 13.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.844 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 24.9 mt -44.51 -55.76 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' ASN . 56.3 t -54.65 -57.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' VAL . 16.1 m-80 -34.37 -64.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 32.1 t80 -44.62 -69.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -34.74 -51.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -52.58 -52.91 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -38.75 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 21.2 mttm -91.42 18.17 7.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp 42.09 37.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.38 176.01 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.743 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.8 m -116.06 123.17 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 23' ' ' VAL . 2.7 p -113.03 126.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -123.67 155.27 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.47 105.45 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.29 139.43 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -118.15 151.78 36.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -47.67 153.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -89.73 153.7 47.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.655 0.741 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.37 5.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -163.36 132.18 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.5 m -71.17 88.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -155.44 153.97 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 9.4 mp -119.69 154.27 54.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.84 165.49 76.73 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.323 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -117.56 93.19 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' HG3' HD11 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -127.63 173.8 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 9.8 m-85 -92.39 132.08 37.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' A' ' 37' ' ' ARG . 4.2 mp -134.17 116.72 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.459 ' H ' ' HB1' ' A' ' 60' ' ' ALA . 4.8 t -107.26 148.05 29.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.758 ' HG2' HG23 ' A' ' 51' ' ' THR . 30.9 mttp -132.49 113.76 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.81 112.2 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -123.22 127.88 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 22' ' ' SER . 6.6 mt -114.39 107.86 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.66 47.71 54.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 63.02 24.99 14.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 m -125.0 135.22 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.6 mtt -80.09 122.88 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -118.22 -24.65 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.61 155.02 24.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.758 HG23 ' HG2' ' A' ' 41' ' ' LYS . 9.4 m -142.06 106.96 4.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.173 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.36 146.07 18.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 p -138.71 122.58 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.47 168.24 34.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -58.83 -41.76 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 51.7 m -114.99 136.35 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLN . 25.7 tttm -38.1 -62.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' LYS . 48.5 tt0 -34.66 -44.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.19 -54.73 43.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' A' ' 40' ' ' CYS . . . -70.63 -60.83 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -41.56 -26.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.528 ' HG2' HG21 ' A' ' 9' ' ' ILE . 15.3 mt-30 -83.82 -67.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.2 mt -42.17 -47.3 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.85 -65.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -44.45 -55.92 4.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' ALA . 73.0 tttt -34.59 -59.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -36.97 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -63.56 -57.57 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.844 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 38.8 t80 -35.49 -64.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.746 ' HA ' HD12 ' A' ' 73' ' ' LEU . 23.6 mt-30 -50.73 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -41.91 -39.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.508 HD23 ' HD3' ' A' ' 77' ' ' PRO . 12.0 mt -67.4 -44.83 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 70' ' ' GLN . 7.1 mt -63.68 -34.6 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -80.68 -63.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.4 m -127.2 88.14 54.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.728 0.775 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 169.76 18.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HD3' HD23 ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.73 137.05 34.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -40.93 -64.97 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -86.28 131.37 34.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -113.33 82.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 137.65 111.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.3 m -65.08 146.27 55.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 111.17 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 t -119.71 122.02 40.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.68 164.22 13.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -1.73 8.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.6 p -104.9 147.13 28.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.1 m -59.47 162.99 4.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -94.58 125.37 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -88.24 120.97 30.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.92 -169.18 20.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.482 ' HB3' HD11 ' A' ' 11' ' ' LEU . 41.0 t -119.35 148.93 42.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -86.05 113.32 22.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.08 106.81 0.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.658 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -97.1 -29.5 13.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.792 0.33 . . . . 0.0 110.92 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 62' ' ' GLN . 17.6 mm -33.7 -39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.84 -30.16 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.886 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 20.8 mt -44.97 -62.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.423 HG21 ' HB3' ' A' ' 68' ' ' ALA . 42.2 t -45.32 -57.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -39.65 -55.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' PHE . 65.2 m -66.82 -58.72 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CD2' HD13 ' A' ' 72' ' ' LEU . 4.9 t80 -34.43 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -37.09 -63.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -49.4 -49.9 42.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -54.82 -40.12 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 15' ' ' PHE . 11.4 mptt -93.19 19.78 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt 44.53 37.59 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.91 174.14 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.16 122.19 42.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 44' ' ' ILE . 3.2 p -107.98 133.28 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -128.09 150.24 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.24 103.05 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -87.55 127.94 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -95.4 155.66 16.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.3 p -54.53 147.69 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -80.43 141.24 52.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.19 20.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -113.37 43.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -101.97 166.17 10.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 14.7 mp0 -60.96 107.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD23 ' HG2' ' A' ' 36' ' ' GLN . 14.7 mt -69.68 151.04 96.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.737 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.78 155.83 93.11 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.327 -0.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.544 ' HG2' HD23 ' A' ' 34' ' ' LEU . 6.3 pt20 -109.73 120.74 43.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.558 HH11 HD11 ' A' ' 39' ' ' ILE . 1.2 ptp85 -97.07 152.86 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CD2' ' N ' ' A' ' 57' ' ' LYS . 32.4 m-85 -64.11 123.31 18.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.558 HD11 HH11 ' A' ' 37' ' ' ARG . 74.4 mt -143.7 133.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.466 ' H ' ' HB1' ' A' ' 60' ' ' ALA . 4.4 t -129.14 123.31 31.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -105.73 131.34 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB1' ' A' ' 64' ' ' ALA . 2.0 p -99.28 110.36 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -109.53 136.52 48.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.641 ' CD1' HG23 ' A' ' 23' ' ' VAL . 8.2 mm -113.33 101.47 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.48 50.94 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 61.66 25.64 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.0 m -124.38 133.25 53.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -71.52 114.21 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 5.1 m-85 -108.58 -62.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.23 160.22 24.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -140.8 113.55 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.69 146.27 16.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -144.98 127.9 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.99 -172.89 23.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 55' ' ' VAL . 5.3 m -74.04 -35.07 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 57' ' ' LYS . 37.3 m -114.77 155.53 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.426 ' N ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -55.44 -57.42 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.63 -40.17 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -53.48 -53.15 55.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' HB1' ' H ' ' A' ' 40' ' ' CYS . . . -64.27 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.4 tttm -35.49 -49.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.492 ' O ' HD12 ' A' ' 9' ' ' ILE . 16.1 mt-30 -57.69 -67.79 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.9 mt -45.58 -50.69 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -33.97 -54.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -52.73 -46.87 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' LEU . 12.8 tttp -42.8 -56.5 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -60.57 -46.12 91.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -52.76 -50.45 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.886 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 24.3 t80 -47.79 -50.9 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.2 -42.39 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -56.39 -35.64 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.627 HD13 ' CD2' ' A' ' 15' ' ' PHE . 12.4 mt -70.9 -57.11 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.2 mt -44.69 -46.48 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -71.25 -45.75 62.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -132.29 86.16 46.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.7 0.762 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 169.86 18.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.291 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.71 -7.92 22.27 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -144.9 150.25 36.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 79' ' ' THR . 9.9 t -62.69 124.22 20.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.14 38.07 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.68 167.56 41.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -134.09 146.83 50.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 50.71 48.9 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.93 155.64 16.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.78 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -95.11 154.97 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.9 t -119.34 134.53 55.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -56.27 87.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 1' ' ' GLY . 6.0 m -153.35 171.58 18.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.56 -166.16 12.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.646 ' CB ' HD11 ' A' ' 11' ' ' LEU . 47.8 m -113.47 112.57 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -67.5 94.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.13 81.42 1.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.68 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -85.92 -28.7 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.362 . . . . 0.0 110.896 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 62' ' ' GLN . 15.9 mm -33.25 -43.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.39 -28.24 15.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.888 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 19.8 mt -44.74 -53.78 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' ASN . 75.1 t -53.05 -58.4 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' VAL . 13.2 m-80 -35.85 -66.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' PHE . 78.7 p -61.95 -54.94 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.526 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 28.0 t80 -34.74 -63.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.37 -66.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -43.69 -53.35 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -52.3 -37.45 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 26.1 mttm -95.48 22.19 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 40.9 39.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.82 173.66 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.83 118.48 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.762 HG23 HD13 ' A' ' 44' ' ' ILE . 3.6 p -111.74 137.69 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -138.22 148.2 44.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.528 ' OH ' ' HB2' ' A' ' 65' ' ' ALA . 13.8 m-85 -126.49 109.04 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -93.89 153.33 18.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -123.5 114.97 20.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 t -121.25 153.19 37.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -108.1 147.79 36.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 144.82 55.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -38.52 -59.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 t -64.67 137.61 57.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' C ' HD22 ' A' ' 34' ' ' LEU . 8.0 mp0 -63.06 -59.45 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.547 HD22 ' C ' ' A' ' 33' ' ' GLU . 3.0 mm? -114.54 155.37 46.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.74 172.79 47.27 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.353 -0.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -78.11 108.57 11.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -124.16 120.71 33.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -89.34 116.66 27.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.78 126.09 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 14.5 p -119.61 162.93 18.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HG2' HG23 ' A' ' 51' ' ' THR . 18.7 mttp -142.11 120.79 12.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.626 ' SG ' ' HB1' ' A' ' 64' ' ' ALA . 1.8 p -93.3 109.74 21.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -108.85 139.15 44.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.762 HD13 HG23 ' A' ' 23' ' ' VAL . 12.1 mm -110.13 100.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 51.58 38.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.57 25.1 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.4 m -124.43 127.42 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ttm -67.0 116.04 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.8 m-85 -110.24 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HG ' ' A' ' 42' ' ' CYS . . . -140.21 154.14 23.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 41' ' ' LYS . 78.0 m -128.85 125.16 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.42 148.87 16.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.0 p -145.27 117.4 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.98 -171.77 18.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.4 m -91.54 -23.43 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.5 m -122.57 136.42 54.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 8.7 mmmt -36.57 -63.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.2 tt0 -46.92 -60.61 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' GLN . 2.8 tp10 -36.13 -53.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -69.45 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -41.32 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.522 ' O ' HD12 ' A' ' 9' ' ' ILE . 18.9 mt-30 -81.73 -63.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.7 mt -48.11 -52.2 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.626 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -33.89 -53.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.528 ' HB2' ' OH ' ' A' ' 25' ' ' TYR . . . -53.05 -52.16 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' ALA . 17.6 tttp -37.89 -53.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -63.96 -48.2 77.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.06 -38.1 62.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.888 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 51.8 t80 -65.69 -58.1 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -48.93 -39.64 27.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.65 -33.78 74.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.2 mt -76.72 -35.31 57.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 69' ' ' TYR . 82.5 mt -64.18 -27.09 68.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 75' ' ' SER . 12.3 pttt -105.08 -28.08 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 2.9 m -134.68 86.98 32.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.7 0.762 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 169.88 17.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.473 ' HG3' ' CD ' ' A' ' 19' ' ' LYS . 53.5 Cg_endo -69.74 154.27 68.02 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.382 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.67 148.69 34.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.0 p -108.81 82.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.75 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.71 -111.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.447 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.2 m -107.56 139.5 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' GLY . 58.2 m -91.72 174.58 7.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -37.66 146.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.444 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -40.73 4.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.4 m 53.18 29.63 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.8 t -57.14 -47.67 80.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -69.29 80.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -59.33 109.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.15 -143.12 2.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -134.15 131.31 38.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -43.74 -47.62 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.13 -176.84 15.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.503 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -91.87 -31.78 15.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.665 HG21 ' CD ' ' A' ' 62' ' ' GLN . 28.8 mm -33.27 -42.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.26 -30.47 8.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.902 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 14.7 mt -35.78 -53.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' ASN . 80.6 t -56.16 -59.19 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' VAL . 25.1 m-20 -34.28 -58.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.4 m -69.51 -42.44 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CD1' HD13 ' A' ' 72' ' ' LEU . 2.6 t80 -47.25 -70.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -48.95 -47.25 44.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' PHE . 43.7 mtpt -54.61 -41.03 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -92.2 18.51 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt 42.07 38.26 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 77' ' ' PRO . 8.2 mt -94.92 175.52 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.79 122.16 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.845 HG23 HD13 ' A' ' 44' ' ' ILE . 2.0 p -105.81 133.22 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -128.31 157.15 41.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 50.8 m-85 -132.93 114.27 13.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -93.58 153.08 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -98.61 155.77 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.666 ' HB2' HD12 ' A' ' 39' ' ' ILE . 19.5 p -51.68 166.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -92.78 143.93 27.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -23.98 30.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -43.5 -68.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -71.13 142.44 50.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -106.43 -48.74 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.548 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 30.4 mt -111.4 151.65 43.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.708 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.77 169.35 63.82 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.351 -0.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -81.04 70.83 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.694 HH12 HD11 ' A' ' 39' ' ' ILE . 3.5 ptt85 -135.36 158.33 44.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -102.98 151.78 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.694 HD11 HH12 ' A' ' 37' ' ' ARG . 6.2 mt -127.14 149.62 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.02 109.88 8.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -95.01 108.14 20.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.66 112.95 20.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -114.72 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.845 HD13 HG23 ' A' ' 23' ' ' VAL . 6.7 mm -99.6 102.53 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.48 44.96 96.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 71.7 26.5 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -124.36 135.31 53.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.95 123.21 23.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 8.0 m-85 -119.67 -61.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.75 154.51 25.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 t -130.69 161.3 31.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.583 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -132.82 137.46 9.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -123.81 121.45 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.86 156.05 26.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.3 m -50.77 -24.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 m -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -49.21 -55.22 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -45.44 -51.55 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -47.63 -49.15 27.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.583 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -61.74 -57.98 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HD2' ' CD2' ' A' ' 25' ' ' TYR . 9.2 tptt -44.79 -35.58 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.665 ' CD ' HG21 ' A' ' 9' ' ' ILE . 7.2 mm100 -66.84 -72.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 65' ' ' ALA . 5.7 mt -44.37 -47.41 9.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.72 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -81.89 -46.09 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 47.2 tttm -40.62 -43.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -78.81 -57.62 3.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.26 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.936 ' CE2' HD11 ' A' ' 73' ' ' LEU . 68.2 t80 -54.49 -54.13 45.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.838 ' HA ' HD12 ' A' ' 73' ' ' LEU . 21.1 mm100 -48.91 -56.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -41.92 -53.75 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' A' ' 15' ' ' PHE . 20.5 mt -53.8 -50.64 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.936 HD11 ' CE2' ' A' ' 69' ' ' TYR . 4.7 mt -58.73 -41.79 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -71.01 -71.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -123.04 86.15 51.03 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.676 0.751 . . . . 0.0 110.836 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.02 67.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.512 ' CG ' HD11 ' A' ' 21' ' ' LEU . 53.9 Cg_endo -69.76 -49.2 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -174.84 125.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.657 HG21 ' HA ' ' A' ' 83' ' ' SER . 12.2 t -112.0 150.99 29.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.56 -48.22 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.54 -67.43 2.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 82' ' ' THR . 9.0 t -159.94 123.25 3.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.122 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.657 ' HA ' HG21 ' A' ' 79' ' ' THR . 29.6 t -81.07 42.03 0.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.59 125.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 105.34 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.1 p -116.19 151.03 36.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.6 p -54.41 -44.22 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.516 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.821 0.343 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.906 HG21 HE21 ' A' ' 62' ' ' GLN . 18.0 mm -33.78 -40.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.19 -30.44 9.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.833 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 15.2 mt -39.23 -58.03 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' PHE . 30.7 t -51.4 -62.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' VAL . 19.6 m-80 -35.9 -51.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.8 p -75.24 -30.62 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.747 ' CE1' HD13 ' A' ' 72' ' ' LEU . 8.1 t80 -61.42 -54.44 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -57.02 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -49.45 -48.16 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -56.13 -43.41 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -92.44 21.95 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt 39.56 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.4 mt -95.13 174.85 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.72 117.41 30.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.719 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -106.03 132.22 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -130.43 150.71 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.513 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 75.3 m-85 -126.46 105.7 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -88.64 136.75 32.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.425 ' C ' HG13 ' A' ' 39' ' ' ILE . 28.3 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.359 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.425 HG13 ' C ' ' A' ' 38' ' ' PHE . 11.5 mt -138.36 136.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 61' ' ' LYS . 35.0 m -134.95 118.08 16.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 51' ' ' THR . 12.7 mttp -101.51 124.88 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.476 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 5.8 p -89.68 117.16 28.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -118.12 126.55 52.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.719 HD13 HG23 ' A' ' 23' ' ' VAL . 3.5 mm -103.34 102.49 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.92 52.16 39.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.44 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 62.55 25.25 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 m -124.43 129.72 51.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.8 ttm -74.28 115.86 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.438 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 11.3 m-85 -110.54 -61.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -131.29 160.56 23.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 41' ' ' LYS . 28.8 m -142.32 114.01 7.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.02 146.61 17.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.7 p -144.58 124.76 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.393 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.44 -175.27 23.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.79 -22.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -134.3 145.78 49.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -43.99 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.53 -65.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -72.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.513 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 18.8 ttpp -38.11 -45.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.906 HE21 HG21 ' A' ' 9' ' ' ILE . 16.8 mt-30 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.3 mt -45.88 -48.32 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -34.57 -51.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -55.1 -55.68 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 46.3 tttm -37.33 -46.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -69.46 -46.02 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -56.68 -36.23 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.833 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 64.2 t80 -58.81 -68.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.443 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.9 pt20 -48.01 -37.81 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -58.1 -36.05 72.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 15' ' ' PHE . 16.7 mt -73.37 -46.15 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' A' ' 69' ' ' TYR . 25.5 mt -56.14 -31.63 63.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.685 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 16.5 mm -36.14 -41.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.15 -21.44 32.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.728 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 31.0 mt -55.91 -53.13 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.657 ' CG1' ' HB1' ' A' ' 65' ' ' ALA . 12.9 p -67.24 -29.19 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -65.25 -33.95 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -91.88 -46.43 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.584 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 14.0 t80 -48.28 -46.54 36.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -60.73 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -49.5 -53.88 20.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -52.02 -37.58 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 25.1 mttm -93.08 22.35 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 43.39 35.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.58 173.05 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -121.42 111.97 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.907 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -109.11 122.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.79 160.63 25.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -128.82 109.53 11.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -90.03 136.32 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 57' ' ' LYS . 11.3 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 mt -142.16 128.05 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.3 t -125.99 155.36 41.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HG2' HG23 ' A' ' 51' ' ' THR . 28.6 mttp -134.55 135.77 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 68' ' ' ALA . 23.5 p -104.07 118.84 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -119.67 128.04 53.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.907 HD13 HG23 ' A' ' 23' ' ' VAL . 2.9 mm -102.37 102.69 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.33 49.12 73.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 66.32 25.18 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.4 m -124.48 127.43 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.31 117.49 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -112.83 -57.32 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.71 165.43 26.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 41' ' ' LYS . 54.5 m -143.44 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.93 153.71 18.69 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -152.13 130.61 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.67 -167.54 25.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 m -88.99 -13.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -134.05 141.01 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 10.9 mmmt -47.24 -56.29 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -51.4 -45.57 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.93 -49.99 73.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.29 -68.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 26.1 ttpt -35.04 -45.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.506 ' HG2' HG21 ' A' ' 9' ' ' ILE . 28.0 mt-30 -61.11 -72.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 7.6 mt -37.11 -48.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -37.3 -44.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 12' ' ' VAL . . . -65.55 -47.37 76.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' ALA . 59.5 tttt -34.47 -56.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.76 -42.89 85.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -52.75 -60.99 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.728 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 72.1 t80 -44.03 -51.8 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -49.9 -50.74 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -50.42 -53.34 30.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 mt -47.19 -45.64 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.5 mt -65.83 -38.8 89.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.629 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.862 0.363 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.547 HG21 HE21 ' A' ' 62' ' ' GLN . 20.3 mm -34.04 -39.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.79 -30.49 8.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 69' ' ' TYR . 19.4 mt -40.8 -55.97 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' PHE . 96.5 t -53.47 -61.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 12.7 m-80 -34.36 -53.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m -75.85 -32.96 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.841 ' CE1' HD13 ' A' ' 72' ' ' LEU . 10.1 t80 -57.22 -48.35 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -64.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.25 -50.34 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -56.1 -36.19 67.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' HD12 ' A' ' 21' ' ' LEU . 25.8 mttm -95.27 17.54 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm 48.14 32.99 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 19' ' ' LYS . 12.6 mt -95.72 172.75 7.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -114.47 117.1 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.752 HG23 HD13 ' A' ' 44' ' ' ILE . 1.8 p -107.22 129.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -132.3 164.07 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 61' ' ' LYS . 65.9 m-85 -133.05 115.41 15.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -89.4 119.59 29.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 10.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 17.1 mm -133.86 121.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.6 m -117.4 122.55 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -103.65 107.9 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.18 105.17 10.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -109.49 137.89 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.752 HD13 HG23 ' A' ' 23' ' ' VAL . 4.5 mm -110.01 106.8 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.71 43.41 99.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 71.08 26.87 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.6 m -123.84 134.99 53.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -78.56 121.57 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.04 -60.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.03 154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 t -135.56 159.13 42.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.56 150.99 19.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' CD1' ' A' ' 39' ' ' ILE . 96.0 p -132.94 131.59 41.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.3 177.36 38.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 56' ' ' THR . 28.4 m -64.63 -44.11 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.469 ' N ' HG23 ' A' ' 55' ' ' VAL . 24.2 m -112.71 148.94 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 48.1 tttm -43.15 -60.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -39.03 -64.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.69 -44.07 3.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -66.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.572 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 29.7 tttt -41.38 -48.35 3.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.547 HE21 HG21 ' A' ' 9' ' ' ILE . 24.8 mt-30 -50.67 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.9 mt -43.78 -48.81 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -35.14 -48.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -61.04 -48.83 79.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' ALA . 48.0 tttt -36.95 -67.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -55.13 -45.43 75.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.6 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 11' ' ' LEU . 11.3 t80 -53.35 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -38.2 -47.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -51.96 -51.3 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.841 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -60.96 -45.98 92.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.2 mt -49.92 -30.18 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.0 mm -34.33 -39.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.87 -28.18 12.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.597 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 17.6 mt -46.1 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 69' ' ' TYR . 39.0 t -48.06 -59.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' VAL . 43.6 m-20 -34.84 -56.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -73.94 -30.38 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CZ ' ' HE3' ' A' ' 19' ' ' LYS . 13.0 t80 -57.29 -51.9 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -62.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -46.86 -55.23 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -52.68 -40.87 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HE3' ' CZ ' ' A' ' 15' ' ' PHE . 39.4 mttt -89.56 20.26 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 43.56 35.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 mt -96.29 174.24 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.599 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.7 m -113.54 118.67 35.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 1.9 p -114.98 126.39 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.65 152.56 45.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.537 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 66.6 m-85 -124.59 99.89 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -88.34 138.99 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.452 ' NE2' ' HE3' ' A' ' 57' ' ' LYS . 2.1 mp0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 57' ' ' LYS . 12.8 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.78 0.324 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.3 mt -114.01 118.72 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -109.18 153.05 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HG2' HG23 ' A' ' 51' ' ' THR . 15.5 mttp -136.61 121.87 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 3.1 t -87.89 115.57 25.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HZ3' ' HB2' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -121.81 128.6 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 22' ' ' SER . 6.1 mt -119.02 119.33 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.78 44.18 98.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 62.92 25.02 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.9 m -124.43 139.38 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -83.31 130.82 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE2' HD23 ' A' ' 72' ' ' LEU . 28.4 m-85 -121.79 -59.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.92 161.51 25.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.468 HG23 ' HG2' ' A' ' 41' ' ' LYS . 24.0 m -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.59 150.02 19.26 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 p -142.25 116.76 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.19 -172.57 19.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -85.01 -18.7 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -130.1 132.22 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 29.2 tttt -37.31 -50.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -52.87 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -40.23 -50.89 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -58.76 -68.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 24.0 ttpt -34.63 -61.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -38.87 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 mt -42.51 -43.39 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -42.91 -39.4 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -66.41 -52.68 44.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -38.49 -59.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.78 -35.43 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -65.06 -61.23 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.597 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 41.9 t80 -36.11 -63.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.777 ' HA ' HD12 ' A' ' 73' ' ' LEU . 28.7 mm-40 -57.74 -31.79 66.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ALA . 14.1 tppt? -72.08 -27.35 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.559 HD23 ' CE2' ' A' ' 49' ' ' TYR . 12.0 mt -79.61 -38.73 33.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.777 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.5 mt -64.12 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.707 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.767 HG21 ' CD ' ' A' ' 62' ' ' GLN . 19.4 mm -33.92 -41.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.22 -32.23 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.038 HD13 ' CE2' ' A' ' 69' ' ' TYR . 13.2 mt -34.41 -46.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 68' ' ' ALA . 46.7 t -65.92 -60.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' VAL . 20.6 m-80 -35.68 -39.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 m -87.27 -41.21 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.933 ' CD1' HD13 ' A' ' 72' ' ' LEU . 5.9 t80 -49.97 -39.21 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.31 -69.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.53 -50.78 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 3.1 mptt -56.72 -38.36 72.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 13.1 mptt -95.15 20.38 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 16.7 pttm 43.67 40.41 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.82 175.74 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 m -121.67 120.3 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.706 HG23 HD13 ' A' ' 44' ' ' ILE . 1.6 p -103.46 141.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -130.88 142.11 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -123.84 99.18 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.21 135.1 34.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 23.4 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.809 0.338 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.0 mm -129.81 129.61 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 21.2 m -121.29 149.11 43.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 117.65 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.4 t -95.69 107.13 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -110.29 140.34 44.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.706 HD13 HG23 ' A' ' 23' ' ' VAL . 3.7 mm -113.65 104.18 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.77 50.62 46.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 61.76 25.3 15.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.0 m -124.35 132.27 53.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 ttt -70.96 120.17 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.472 ' CD2' HG13 ' A' ' 44' ' ' ILE . 5.1 m-85 -114.39 -61.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.96 142.1 11.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -120.69 115.99 24.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.128 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.6 145.4 17.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -140.94 142.14 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 -168.37 35.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -94.06 -22.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' LYS . 1.7 m -125.38 138.09 54.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 25.3 mtpp -36.7 -58.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -42.38 -63.04 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -38.79 -60.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' A' ' 40' ' ' CYS . . . -61.19 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -42.63 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.767 ' CD ' HG21 ' A' ' 9' ' ' ILE . 8.5 mm100 -82.93 -70.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' ALA . 7.3 mt -47.76 -46.74 30.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -36.12 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -83.48 -48.21 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' LEU . 42.8 tttm -37.33 -43.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.17 -46.79 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -49.37 -52.89 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 1.038 ' CE2' HD13 ' A' ' 11' ' ' LEU . 28.5 t80 -46.67 -44.99 19.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.79 -43.79 97.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -50.93 -33.97 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.933 HD13 ' CD1' ' A' ' 15' ' ' PHE . 13.8 mt -73.92 -51.14 17.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.22 -28.92 12.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.9 mttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.768 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.749 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.523 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 20.3 mm -33.96 -35.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -94.11 -34.57 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.422 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 8' ' ' TYR . 18.5 mt -38.69 -45.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.13 -59.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -39.31 -52.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 18.2 m -71.21 -60.99 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.674 ' CE1' HD13 ' A' ' 72' ' ' LEU . 41.7 t80 -36.5 -57.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.05 -65.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -51.8 -47.86 64.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -54.65 -38.34 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -92.21 18.09 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 49.12 31.05 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.1 173.67 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -117.58 120.56 38.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -103.53 131.44 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -127.02 153.22 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -132.05 101.0 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -89.43 137.86 31.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 53' ' ' SER . 3.2 mm -129.81 147.46 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.72 105.99 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 3.8 ttmp? -93.26 114.13 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -83.86 113.38 20.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 47' ' ' THR . 13.3 mmmt -113.32 118.57 34.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.64 HD13 HG23 ' A' ' 23' ' ' VAL . 3.4 mm -94.29 105.59 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.84 44.46 92.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 71.79 25.43 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.935 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.423 ' C ' ' HD2' ' A' ' 43' ' ' LYS . 30.4 m -124.38 113.97 18.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -65.5 109.75 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' CE2' ' HB ' ' A' ' 44' ' ' ILE . 12.3 m-85 -104.56 -56.97 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.37 166.17 30.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -141.97 156.23 45.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.06 160.43 23.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' HD13 ' A' ' 39' ' ' ILE . 96.6 p -145.74 134.96 22.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.404 ' HA3' ' CG ' ' A' ' 59' ' ' GLU . . . -166.72 153.46 23.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -48.79 -24.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.121 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -127.17 144.89 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -39.62 -64.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLU . 2.4 tp-100 -38.99 -66.14 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' GLN . 10.6 tp10 -34.47 -47.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -71.43 -69.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -38.7 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HA ' HG23 ' A' ' 9' ' ' ILE . 28.2 mt-30 -70.83 -70.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.8 -35.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -73.49 -44.69 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 8' ' ' TYR . 36.2 tttm -42.87 -64.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -59.35 -46.05 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.03 -45.19 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 73' ' ' LEU . 43.3 t80 -61.12 -59.62 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -42.87 -43.12 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -59.2 -54.3 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.674 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -52.57 -39.63 61.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 69' ' ' TYR . 74.6 mt -60.0 -29.16 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.654 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.579 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 32.2 mm -34.47 -39.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.37 -26.98 14.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.887 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 15.4 mt -46.65 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 68' ' ' ALA . 21.4 t -43.01 -58.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -39.63 -51.76 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' PHE . 64.3 m -73.31 -62.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 6.8 t80 -33.77 -51.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.96 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -50.23 -49.42 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' HB3' ' A' ' 14' ' ' SER . 30.4 mttm -53.63 -39.47 65.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mptt -91.84 19.82 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm 45.86 37.71 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.2 mt -97.72 175.06 6.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.59 118.35 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.651 HG23 ' CD1' ' A' ' 44' ' ' ILE . 1.6 p -102.57 130.39 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -125.97 148.36 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.69 110.36 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.36 138.16 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.821 0.343 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -122.2 127.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.04 124.43 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HG2' HG23 ' A' ' 51' ' ' THR . 26.4 mttp -106.33 129.12 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 15.1 p -96.88 119.41 35.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -122.71 139.68 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 23' ' ' VAL . 3.7 mm -121.61 105.68 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 46' ' ' GLN . . . 66.39 64.7 3.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 20.0 pt20 47.26 25.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -125.27 141.46 52.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -81.57 125.14 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.7 m-85 -115.33 -60.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.38 165.95 26.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.675 HG23 ' HG2' ' A' ' 41' ' ' LYS . 90.5 m -144.02 113.79 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.75 146.16 16.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.3 p -140.93 122.22 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.99 -178.43 24.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.7 m -79.56 -18.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -132.39 141.51 48.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -42.67 -45.53 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -60.01 -47.12 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -55.12 -48.18 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -69.6 -71.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 60' ' ' ALA . 18.7 ttpp -34.6 -46.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' HG2' HG21 ' A' ' 9' ' ' ILE . 10.3 mt-30 -57.25 -72.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 64' ' ' ALA . 10.1 mt -39.1 -53.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.97 -58.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -45.97 -53.6 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -43.86 -49.14 8.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -63.24 -55.66 23.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -47.86 -42.81 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.887 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 34.4 t80 -55.63 -60.57 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -40.66 -54.88 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -52.12 -52.21 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 15' ' ' PHE . 11.5 mt -49.33 -47.36 47.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 10.0 mt -55.78 -34.32 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.497 HG21 ' HG2' ' A' ' 62' ' ' GLN . 19.9 mm -34.65 -40.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.94 -27.7 18.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.771 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 20.9 mt -46.53 -61.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' ASN . 38.4 t -43.78 -61.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 6.4 m-80 -34.61 -72.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 5.5 m -55.92 -56.15 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 19' ' ' LYS . 7.8 t80 -35.68 -63.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.35 -61.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -48.61 -50.21 33.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -53.52 -37.48 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 8.3 mptt -94.26 22.18 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 10.3 ptpt 44.19 32.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.47 176.34 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.25 139.4 52.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 44' ' ' ILE . 1.3 p -123.37 129.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -121.42 149.51 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -124.85 97.89 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -84.89 138.96 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.808 0.337 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.96 130.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 t -120.5 116.07 24.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.648 ' HG2' HG23 ' A' ' 51' ' ' THR . 33.4 mtmt -101.66 130.99 48.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.4 t -102.43 112.08 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -111.15 133.81 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.529 HD13 HG23 ' A' ' 23' ' ' VAL . 5.3 mm -101.61 101.77 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.09 49.28 76.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 68.95 25.43 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 m -123.36 131.98 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 ttt -76.29 114.01 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.36 -60.85 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.54 148.53 20.16 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 41' ' ' LYS . 18.8 m -125.93 112.83 16.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.93 147.6 18.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 p -136.75 139.3 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.01 161.77 34.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.66 -26.91 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m -120.32 144.52 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -45.25 -61.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' GLU . 34.5 tt0 -42.99 -67.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLN . 25.7 tt0 -36.56 -50.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -65.17 -72.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.2 ttpt -36.87 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.497 ' HG2' HG21 ' A' ' 9' ' ' ILE . 31.6 mt-30 -70.94 -67.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -47.81 -48.28 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.02 -37.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -69.66 -47.82 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.056 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -39.22 -60.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -59.27 -52.39 65.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.34 -42.04 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CE2' HD11 ' A' ' 73' ' ' LEU . 78.6 t80 -60.63 -50.49 73.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.661 ' HA ' HD12 ' A' ' 73' ' ' LEU . 66.7 mm-40 -53.78 -45.23 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -52.65 -46.54 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 15' ' ' PHE . 12.5 mt -61.49 -48.21 82.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.831 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.3 mt -54.92 -30.7 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.81 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.468 HG23 ' HA ' ' A' ' 62' ' ' GLN . 20.3 mm -34.06 -41.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.01 -29.88 9.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 8' ' ' TYR . 18.7 mt -39.67 -57.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 29.3 t -50.68 -63.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.5 m-80 -34.55 -66.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' PHE . 12.1 t -57.22 -57.43 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CE1' HD13 ' A' ' 72' ' ' LEU . 13.5 t80 -34.55 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.89 -65.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -45.69 -52.45 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -51.29 -40.11 58.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HB2' HD12 ' A' ' 21' ' ' LEU . 53.6 mttt -93.65 23.14 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 40.38 39.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 19' ' ' LYS . 8.1 mt -97.58 170.06 9.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -109.93 114.65 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.843 HG23 HD13 ' A' ' 44' ' ' ILE . 1.9 p -109.13 131.76 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -128.64 161.04 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 94.7 m-85 -132.29 103.62 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.74 137.26 32.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.8 mt -140.39 144.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.39 116.18 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.64 121.85 41.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -91.6 115.11 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -112.63 146.78 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.843 HD13 HG23 ' A' ' 23' ' ' VAL . 3.2 mm -122.68 102.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.69 43.43 75.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 68.45 26.42 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -124.36 135.3 53.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -77.0 123.78 26.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -118.03 -61.18 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.43 170.72 31.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -149.65 162.96 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -131.72 156.02 21.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.4 p -140.71 128.05 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.1 -176.38 35.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.88 -33.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.2 m -120.63 135.68 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' THR . 37.1 ttpt -37.56 -56.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -43.49 -60.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -44.83 -39.16 5.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.92 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 29.6 tttm -45.25 -39.73 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.468 ' HA ' HG23 ' A' ' 9' ' ' ILE . 29.2 mt-30 -56.2 -65.16 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.84 -42.76 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.25 -27.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -79.29 -53.08 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 27.7 tttt -36.24 -51.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.3 -47.57 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.401 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -52.27 -32.4 37.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.599 ' CE2' HD11 ' A' ' 73' ' ' LEU . 47.5 t80 -66.07 -55.48 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.97 -43.54 70.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -52.8 -35.34 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.641 HD13 ' CE1' ' A' ' 15' ' ' PHE . 13.4 mt -75.71 -47.65 25.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.599 HD11 ' CE2' ' A' ' 69' ' ' TYR . 47.0 mt -53.2 -27.71 23.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.572 HG21 ' HG2' ' A' ' 62' ' ' GLN . 17.5 mm -33.28 -43.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.8 -30.41 15.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.831 HD13 ' CE2' ' A' ' 69' ' ' TYR . 26.7 mt -43.59 -33.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -77.59 -65.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -41.89 -26.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -95.68 -46.02 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' ' 72' ' ' LEU . 78.0 t80 -55.15 -45.92 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -61.49 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -51.87 -46.69 64.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -57.71 -32.23 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -98.64 20.42 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.5 35.32 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt -93.06 175.35 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' ILE . 2.5 m -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -103.86 130.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -126.01 159.27 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.17 101.96 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG3' ' CE ' ' A' ' 43' ' ' LYS . 4.9 mm-40 -84.26 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.11 144.45 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.6 p -145.11 135.55 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -119.84 107.91 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 2.0 t -71.83 112.79 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' CE ' ' HG3' ' A' ' 26' ' ' GLU . 44.0 mttt -122.58 129.51 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 22' ' ' SER . 1.8 mt -119.92 112.41 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.12 46.02 89.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 62.18 25.02 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 m -124.58 131.25 53.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 ttt -77.69 129.79 35.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -121.57 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.58 158.93 24.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -144.49 118.15 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.97 159.94 13.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.6 p -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.34 173.38 28.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.8 m -61.84 -41.17 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 m -112.47 146.63 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -41.18 -53.01 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' GLU . 13.0 mt-30 -45.4 -65.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 3.0 tp10 -38.57 -43.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' SG ' ' A' ' 40' ' ' CYS . . . -74.92 -71.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -42.67 -23.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.572 ' HG2' HG21 ' A' ' 9' ' ' ILE . 11.0 mt-30 -78.46 -72.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.9 mt -41.61 -50.57 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.595 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . . . -34.13 -56.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -53.47 -54.79 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' ALA . 80.5 tttt -36.48 -61.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.25 -39.99 76.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.66 -58.04 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CE2' HD13 ' A' ' 11' ' ' LEU . 17.5 t80 -41.88 -65.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -53.55 -26.59 21.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.8 tmtp? -81.15 -27.67 35.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 15' ' ' PHE . 12.0 mt -86.19 -24.22 26.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.01 -36.57 83.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tptt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.842 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' TYR . 21.0 mm -34.71 -38.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.82 -26.92 13.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.9 HD13 ' CE2' ' A' ' 69' ' ' TYR . 26.9 mt -46.83 -52.11 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 69' ' ' TYR . 25.6 t -56.68 -59.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 5.1 m-80 -34.69 -55.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -70.01 -47.5 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.552 ' CE1' ' HD3' ' A' ' 19' ' ' LYS . 6.1 t80 -41.69 -67.64 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.01 -60.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -50.67 -47.2 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -56.57 -37.79 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 6.5 mptt -95.17 20.74 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 46.48 33.39 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mt -96.71 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.26 124.76 52.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' CD1' ' A' ' 44' ' ' ILE . 3.0 p -111.01 125.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.59 153.17 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -126.77 101.47 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -96.46 127.5 42.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.88 0.371 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.8 mt -112.72 135.14 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.2 t -131.7 114.01 14.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -102.37 118.59 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -87.02 114.92 24.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -112.4 123.07 49.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.861 ' CD1' HG23 ' A' ' 23' ' ' VAL . 3.6 mm -98.38 109.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.46 50.89 62.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 64.19 25.63 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -124.06 132.78 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 ttt -79.11 113.46 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 11.6 m-85 -106.19 -60.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.44 164.12 29.71 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -144.15 161.42 38.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 111.207 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.39 26.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -150.8 131.69 14.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.83 173.44 35.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -63.4 -30.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -120.53 145.32 47.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -42.11 -62.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLU . 21.6 tt0 -41.31 -60.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' GLN . 11.3 tt0 -35.11 -50.41 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -60.85 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -44.2 -24.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -80.05 -68.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 6.0 mt -45.44 -48.82 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.65 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -74.68 -45.58 43.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 44.1 tttt -41.64 -49.48 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.89 -55.41 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.9 ' CE2' HD13 ' A' ' 11' ' ' LEU . 21.7 t80 -52.81 -59.87 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 73' ' ' LEU . 9.0 mm100 -43.73 -49.16 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -56.06 -40.08 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 15' ' ' PHE . 12.6 mt -66.7 -43.72 83.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.712 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 22.2 mt -60.57 -29.76 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.679 HG21 ' NE2' ' A' ' 62' ' ' GLN . 18.5 mm -37.46 -38.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.74 -28.79 11.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.85 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 19.7 mt -45.08 -63.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 45.7 t -41.02 -62.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 10.8 m-80 -35.01 -60.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' PHE . 21.8 m -63.26 -62.12 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CD1' ' HD3' ' A' ' 19' ' ' LYS . 4.5 t80 -33.88 -54.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.52 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -49.14 -48.29 44.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -55.22 -39.1 69.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -93.19 18.28 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt 49.12 30.06 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.3 mt -92.12 174.95 7.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.06 136.64 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -118.86 126.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -116.57 126.44 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -113.27 100.33 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -95.92 123.99 39.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.5 mt -132.56 121.33 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 t -106.25 157.57 17.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.822 ' HD3' HG23 ' A' ' 51' ' ' THR . 45.7 mmtt -129.97 123.37 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.5 t -99.63 103.74 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -111.81 126.55 55.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.767 ' CD1' HG23 ' A' ' 23' ' ' VAL . 5.5 mm -104.27 105.7 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.93 49.25 49.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 63.42 24.98 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -125.92 135.77 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 tpt -74.94 113.8 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.6 m-85 -104.9 -62.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.87 161.22 24.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.822 HG23 ' HD3' ' A' ' 41' ' ' LYS . 29.6 m -131.71 126.95 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.175 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.31 139.96 14.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -139.13 120.98 15.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.07 -173.78 29.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 m -95.56 -21.78 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -118.41 137.46 53.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -41.29 -60.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -49.87 -56.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -41.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -58.91 -67.2 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -38.63 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.679 ' NE2' HG21 ' A' ' 9' ' ' ILE . 15.8 mt-30 -78.15 -65.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' LYS . 10.6 mt -44.89 -47.59 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.94 -40.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.35 -46.73 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' LEU . 3.0 ttmp? -45.45 -34.41 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -81.17 -42.14 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.26 94.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.85 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 56.9 t80 -50.54 -55.11 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.408 ' HA ' HD12 ' A' ' 73' ' ' LEU . 80.7 mt-30 -50.02 -48.92 52.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -48.6 -39.08 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 15' ' ' PHE . 15.2 mt -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.569 HD11 ' CE2' ' A' ' 69' ' ' TYR . 28.5 mt -49.01 -28.58 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.855 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.541 HG23 ' HA ' ' A' ' 62' ' ' GLN . 17.9 mm -33.36 -41.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.06 -26.99 12.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 8' ' ' TYR . 21.2 mt -46.77 -48.34 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 69' ' ' TYR . 90.1 t -57.79 -60.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.3 m-80 -34.42 -48.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -77.77 -40.66 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.791 ' CD2' HD13 ' A' ' 72' ' ' LEU . 10.1 t80 -47.91 -62.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.04 -59.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -48.33 -55.0 11.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -52.16 -36.86 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HB2' HD12 ' A' ' 21' ' ' LEU . 35.1 mttm -96.29 23.47 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt 40.37 32.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 19' ' ' LYS . 12.3 mt -92.41 175.15 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 m -118.37 119.77 35.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.648 HG23 HD13 ' A' ' 44' ' ' ILE . 2.5 p -106.83 134.24 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -130.35 141.87 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -120.52 99.34 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.93 142.94 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 10.3 mm -143.52 112.54 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.488 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 6.0 m -103.97 147.69 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -134.4 118.47 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.7 t -94.1 112.13 23.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.09 138.56 50.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.648 HD13 HG23 ' A' ' 23' ' ' VAL . 4.5 mm -111.03 111.62 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.72 39.42 97.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 71.9 25.4 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.1 m -124.42 142.4 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -78.26 123.36 26.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 13.5 m-85 -121.2 -58.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.83 137.38 8.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 41' ' ' LYS . 25.1 m -118.21 119.95 36.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.191 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.81 148.11 16.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 1.5 t -136.37 141.59 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.53 165.9 37.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.38 -30.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.958 0.408 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m -120.91 136.14 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -38.74 -53.0 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' GLU . 9.6 tp-100 -44.76 -67.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLN . 4.7 tp10 -37.12 -60.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 40' ' ' CYS . . . -57.76 -66.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.9 tptm -34.27 -43.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.541 ' HA ' HG23 ' A' ' 9' ' ' ILE . 20.1 mt-30 -63.46 -71.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.7 mt -44.75 -53.0 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.91 -39.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -70.36 -51.99 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ALA . 77.2 tttt -37.68 -55.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -45.66 93.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.3 -60.01 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.627 ' CE2' HD13 ' A' ' 11' ' ' LEU . 32.7 t80 -48.23 -55.69 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -47.37 -49.28 24.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -56.45 -38.13 71.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.791 HD13 ' CD2' ' A' ' 15' ' ' PHE . 13.0 mt -68.64 -44.29 74.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.612 HD21 ' CE2' ' A' ' 69' ' ' TYR . 67.3 mt -54.04 -33.67 57.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.831 HG21 ' CD ' ' A' ' 62' ' ' GLN . 17.2 mm -31.86 -42.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -93.94 -31.94 7.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.791 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 12.2 mt -36.41 -59.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -54.33 -62.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' VAL . 35.5 m-80 -34.03 -64.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.5 p -62.01 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.829 ' CD1' HD13 ' A' ' 72' ' ' LEU . 27.8 t80 -49.11 -48.07 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -67.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.06 -54.07 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -53.76 -41.78 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.9 mptt -90.98 17.6 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 44.11 35.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 mt -91.64 176.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -117.46 109.57 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -108.07 133.01 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -130.36 133.52 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.04 106.57 10.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -105.66 158.6 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' GLY . 58.2 mt -127.92 137.78 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -126.29 115.15 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -88.46 126.83 35.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 29.6 p -108.82 106.92 17.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -116.1 138.94 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -119.7 107.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.53 37.82 62.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 70.49 25.03 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.8 m -125.57 134.37 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.8 ttt -71.77 119.72 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.487 ' CD2' ' HG2' ' A' ' 71' ' ' LYS . 5.4 m-85 -110.66 -53.18 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.496 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -150.08 168.97 30.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -143.29 108.17 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -83.72 146.92 23.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.2 p -150.56 122.98 8.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.66 -175.48 29.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -72.95 -32.04 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.384 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.8 m -120.16 132.82 55.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -37.96 -58.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -43.85 -49.74 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.62 -38.73 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.64 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -45.37 -36.29 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.831 ' CD ' HG21 ' A' ' 9' ' ' ILE . 6.9 mm100 -60.84 -57.03 14.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.3 mt -60.91 -47.57 85.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.01 -47.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -46.21 77.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 63' ' ' LEU . 18.1 tttp -38.5 -54.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.78 -54.18 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -41.56 -46.22 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.791 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 84.9 t80 -46.34 -58.97 3.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -47.32 -49.3 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -51.53 -54.73 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.829 HD13 ' CD1' ' A' ' 15' ' ' PHE . 11.7 mt -49.25 -44.86 44.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 ' CE2' ' A' ' 69' ' ' TYR . 72.1 mt -59.02 -28.24 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.635 HG21 HE21 ' A' ' 62' ' ' GLN . 16.0 mm -33.1 -40.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.23 -31.18 8.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.6 mt -38.87 -54.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -53.54 -60.42 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 12' ' ' VAL . 23.7 m-20 -34.98 -53.28 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.9 m -72.07 -40.6 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' A' ' 72' ' ' LEU . 3.1 t80 -45.84 -61.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.35 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -42.77 -50.6 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -54.67 -42.16 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -93.41 22.27 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.24 30.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' HB2' ' A' ' 19' ' ' LYS . 10.5 mt -92.41 176.2 6.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.87 140.46 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.755 HG23 HD13 ' A' ' 44' ' ' ILE . 1.2 p -123.0 135.12 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -129.31 138.82 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 75.9 m-85 -112.77 97.27 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -85.4 139.5 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 12.9 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.854 0.359 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 11.1 mm -135.52 129.39 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.08 154.93 40.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' A' ' 51' ' ' THR . 36.9 mttp -137.23 128.2 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -96.06 113.5 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -113.4 132.01 55.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.755 HD13 HG23 ' A' ' 23' ' ' VAL . 13.4 mm -99.39 108.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.34 45.17 96.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 70.27 26.27 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -124.39 134.89 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -76.01 117.63 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 12.8 m-85 -115.36 -61.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.61 149.17 20.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.58 HG23 ' HG2' ' A' ' 41' ' ' LYS . 21.5 m -125.54 132.22 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 111.17 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -115.01 135.1 12.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.452 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 69.4 p -125.51 134.36 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.43 149.33 15.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -42.94 -37.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -114.93 147.79 39.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 22.9 tttm -48.14 -60.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' GLU . 50.1 tp60 -43.86 -68.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 28.7 tt0 -37.13 -43.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.45 -68.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.492 ' HE3' ' CD2' ' A' ' 25' ' ' TYR . 55.8 tttt -35.06 -40.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.635 HE21 HG21 ' A' ' 9' ' ' ILE . 31.7 mt-30 -58.41 -70.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . 5.9 mt -43.96 -43.65 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -36.23 -38.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -73.21 -43.78 60.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 9' ' ' ILE . 16.5 mtpp -47.9 -38.3 16.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -81.0 -42.14 21.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.08 79.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 73' ' ' LEU . 65.5 t80 -50.13 -49.07 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.878 ' HA ' HD12 ' A' ' 73' ' ' LEU . 14.1 mm100 -55.84 -52.98 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.84 -47.24 31.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -59.76 -52.51 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' A' ' 70' ' ' GLN . 19.7 mt -43.7 -39.78 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.671 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.848 0.356 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.653 HG21 HE21 ' A' ' 62' ' ' GLN . 19.8 mm -34.26 -38.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.3 -28.51 11.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 8' ' ' TYR . 16.7 mt -43.87 -58.96 2.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' PHE . 40.5 t -47.27 -62.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 56.9 m-20 -34.88 -35.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' VAL . 3.1 t -89.71 -37.58 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.0 t80 -57.02 -54.67 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -56.18 -50.27 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.94 -36.72 50.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' CB ' HD12 ' A' ' 21' ' ' LEU . 29.5 mttm -93.7 22.31 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 45.21 32.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 19' ' ' LYS . 11.6 mt -101.84 176.01 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.89 135.0 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.601 HG23 HD11 ' A' ' 44' ' ' ILE . 1.3 p -114.81 136.1 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -135.49 153.53 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -132.57 107.12 8.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 41' ' ' LYS . 4.9 pt-20 -96.42 158.3 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 57' ' ' LYS . 12.5 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 18.6 mm -125.66 140.66 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.87 156.99 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -139.8 122.36 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 45.9 t -86.29 112.53 21.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.506 ' C ' HD12 ' A' ' 44' ' ' ILE . 42.8 mtpt -119.16 125.65 49.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.601 HD11 HG23 ' A' ' 23' ' ' VAL . 1.1 mp -104.89 108.85 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.63 52.46 48.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 4.5 mp0 61.05 25.19 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.3 m -123.94 123.62 40.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.4 ' CE ' ' HG2' ' A' ' 41' ' ' LYS . 3.0 ttt -77.26 121.22 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -112.98 -59.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.32 155.13 23.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.548 HG23 ' HG3' ' A' ' 41' ' ' LYS . 82.1 m -119.01 129.08 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.606 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -110.29 111.97 3.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.496 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.462 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -113.7 138.22 50.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.855 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.26 -169.87 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.8 -18.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.398 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' LYS . 4.0 m -131.2 132.51 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -34.37 -59.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -50.66 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.78 -55.24 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -51.6 -62.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 1.1 ttpm? -44.7 -52.93 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.653 HE21 HG21 ' A' ' 9' ' ' ILE . 31.6 mt-30 -42.55 -63.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.6 mt -50.94 -46.61 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -36.31 -41.25 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -66.13 -62.76 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 66.8 tttt -35.96 -36.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.65 -50.6 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.39 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.642 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 59.3 t80 -45.67 -54.52 7.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' LEU . 51.7 mm-40 -55.99 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -38.91 -39.77 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -65.52 -42.26 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' GLN . 83.5 mt -62.29 -31.65 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.591 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.701 HG21 HE21 ' A' ' 62' ' ' GLN . 19.3 mm -33.6 -41.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.088 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.76 -27.08 13.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.844 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 24.9 mt -44.51 -55.76 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' ASN . 56.3 t -54.65 -57.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' VAL . 16.1 m-80 -34.37 -64.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 32.1 t80 -44.62 -69.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -34.74 -51.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -52.58 -52.91 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -38.75 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 21.2 mttm -91.42 18.17 7.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp 42.09 37.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.38 176.01 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.743 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.8 m -116.06 123.17 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 23' ' ' VAL . 2.7 p -113.03 126.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -123.67 155.27 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.47 105.45 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.29 139.43 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 9.8 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -134.17 116.72 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.459 ' H ' ' HB1' ' A' ' 60' ' ' ALA . 4.8 t -107.26 148.05 29.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.758 ' HG2' HG23 ' A' ' 51' ' ' THR . 30.9 mttp -132.49 113.76 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.81 112.2 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -123.22 127.88 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 22' ' ' SER . 6.6 mt -114.39 107.86 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.66 47.71 54.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 63.02 24.99 14.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 m -125.0 135.22 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.6 mtt -80.09 122.88 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -118.22 -24.65 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.61 155.02 24.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.758 HG23 ' HG2' ' A' ' 41' ' ' LYS . 9.4 m -142.06 106.96 4.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.173 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.36 146.07 18.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 p -138.71 122.58 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.47 168.24 34.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -58.83 -41.76 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 51.7 m -114.99 136.35 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLN . 25.7 tttm -38.1 -62.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' LYS . 48.5 tt0 -34.66 -44.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.19 -54.73 43.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' A' ' 40' ' ' CYS . . . -70.63 -60.83 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -41.56 -26.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.701 HE21 HG21 ' A' ' 9' ' ' ILE . 20.8 mt-30 -83.82 -67.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.2 mt -42.17 -47.3 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.85 -65.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -44.45 -55.92 4.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' ALA . 73.0 tttt -34.59 -59.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -36.97 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -63.56 -57.57 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.844 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 38.8 t80 -35.49 -64.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.746 ' HA ' HD12 ' A' ' 73' ' ' LEU . 23.6 mt-30 -50.73 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -41.91 -39.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.4 -44.83 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 70' ' ' GLN . 7.1 mt -63.68 -34.6 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.823 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.658 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.792 0.33 . . . . 0.0 110.92 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 62' ' ' GLN . 17.6 mm -33.7 -39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.84 -30.16 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.886 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 20.8 mt -44.97 -62.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.423 HG21 ' HB3' ' A' ' 68' ' ' ALA . 42.2 t -45.32 -57.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -39.65 -55.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' PHE . 65.2 m -66.82 -58.72 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CD2' HD13 ' A' ' 72' ' ' LEU . 4.9 t80 -34.43 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -37.09 -63.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -49.4 -49.9 42.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -54.82 -40.12 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 15' ' ' PHE . 11.4 mptt -93.19 19.78 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt 44.53 37.59 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.91 174.14 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.16 122.19 42.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 44' ' ' ILE . 3.2 p -107.98 133.28 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -128.09 150.24 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.24 103.05 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -87.55 127.94 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CD2' ' N ' ' A' ' 57' ' ' LYS . 32.4 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.342 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.4 mt -143.7 133.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.466 ' H ' ' HB1' ' A' ' 60' ' ' ALA . 4.4 t -129.14 123.31 31.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -105.73 131.34 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB1' ' A' ' 64' ' ' ALA . 2.0 p -99.28 110.36 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -109.53 136.52 48.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.641 ' CD1' HG23 ' A' ' 23' ' ' VAL . 8.2 mm -113.33 101.47 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.48 50.94 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 61.66 25.64 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.0 m -124.38 133.25 53.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -71.52 114.21 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 5.1 m-85 -108.58 -62.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.23 160.22 24.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -140.8 113.55 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.69 146.27 16.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -144.98 127.9 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.99 -172.89 23.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 55' ' ' VAL . 5.3 m -74.04 -35.07 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 57' ' ' LYS . 37.3 m -114.77 155.53 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.426 ' N ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -55.44 -57.42 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.63 -40.17 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -53.48 -53.15 55.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.466 ' HB1' ' H ' ' A' ' 40' ' ' CYS . . . -64.27 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.4 tttm -35.49 -49.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.492 ' O ' HD12 ' A' ' 9' ' ' ILE . 16.1 mt-30 -57.69 -67.79 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.9 mt -45.58 -50.69 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.45 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -33.97 -54.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -52.73 -46.87 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' LEU . 12.8 tttp -42.8 -56.5 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -60.57 -46.12 91.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -52.76 -50.45 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.886 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 24.3 t80 -47.79 -50.9 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.2 -42.39 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -56.39 -35.64 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.627 HD13 ' CD2' ' A' ' 15' ' ' PHE . 12.4 mt -70.9 -57.11 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.2 mt -44.69 -46.48 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.808 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.68 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 62' ' ' GLN . 15.9 mm -33.25 -43.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.39 -28.24 15.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.888 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 19.8 mt -44.74 -53.78 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' ASN . 75.1 t -53.05 -58.4 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' VAL . 13.2 m-80 -35.85 -66.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' PHE . 78.7 p -61.95 -54.94 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.526 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 28.0 t80 -34.74 -63.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.37 -66.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -43.69 -53.35 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -52.3 -37.45 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.526 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 26.1 mttm -95.48 22.19 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 40.9 39.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.82 173.66 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.83 118.48 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.762 HG23 HD13 ' A' ' 44' ' ' ILE . 3.6 p -111.74 137.69 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -138.22 148.2 44.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.528 ' OH ' ' HB2' ' A' ' 65' ' ' ALA . 13.8 m-85 -126.49 109.04 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -93.89 153.33 18.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.876 0.37 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.78 126.09 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 14.5 p -119.61 162.93 18.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HG2' HG23 ' A' ' 51' ' ' THR . 18.7 mttp -142.11 120.79 12.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.626 ' SG ' ' HB1' ' A' ' 64' ' ' ALA . 1.8 p -93.3 109.74 21.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -108.85 139.15 44.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.762 HD13 HG23 ' A' ' 23' ' ' VAL . 12.1 mm -110.13 100.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 51.58 38.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.57 25.1 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.4 m -124.43 127.42 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ttm -67.0 116.04 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.8 m-85 -110.24 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HG ' ' A' ' 42' ' ' CYS . . . -140.21 154.14 23.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 41' ' ' LYS . 78.0 m -128.85 125.16 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.42 148.87 16.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.0 p -145.27 117.4 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.98 -171.77 18.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.4 m -91.54 -23.43 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.5 m -122.57 136.42 54.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 8.7 mmmt -36.57 -63.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.2 tt0 -46.92 -60.61 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' GLN . 2.8 tp10 -36.13 -53.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -69.45 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -41.32 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.522 ' O ' HD12 ' A' ' 9' ' ' ILE . 18.9 mt-30 -81.73 -63.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.7 mt -48.11 -52.2 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.626 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -33.89 -53.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.528 ' HB2' ' OH ' ' A' ' 25' ' ' TYR . . . -53.05 -52.16 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' ALA . 17.6 tttp -37.89 -53.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -63.96 -48.2 77.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.06 -38.1 62.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.888 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 51.8 t80 -65.69 -58.1 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -48.93 -39.64 27.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.65 -33.78 74.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.2 mt -76.72 -35.31 57.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 69' ' ' TYR . 82.5 mt -64.18 -27.09 68.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 pttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.503 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.665 HG21 ' CD ' ' A' ' 62' ' ' GLN . 28.8 mm -33.27 -42.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.26 -30.47 8.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.902 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 14.7 mt -35.78 -53.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' ASN . 80.6 t -56.16 -59.19 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' VAL . 25.1 m-20 -34.28 -58.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.4 m -69.51 -42.44 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CD1' HD13 ' A' ' 72' ' ' LEU . 2.6 t80 -47.25 -70.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -48.95 -47.25 44.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' PHE . 43.7 mtpt -54.61 -41.03 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -92.2 18.51 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt 42.07 38.26 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 19' ' ' LYS . 8.2 mt -94.92 175.52 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.79 122.16 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.845 HG23 HD13 ' A' ' 44' ' ' ILE . 2.0 p -105.81 133.22 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -128.31 157.15 41.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 50.8 m-85 -132.93 114.27 13.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -93.58 153.08 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.846 0.355 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.2 mt -127.14 149.62 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.02 109.88 8.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -95.01 108.14 20.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.66 112.95 20.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -114.72 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.845 HD13 HG23 ' A' ' 23' ' ' VAL . 6.7 mm -99.6 102.53 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.48 44.96 96.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 71.7 26.5 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -124.36 135.31 53.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.95 123.21 23.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 8.0 m-85 -119.67 -61.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.75 154.51 25.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 t -130.69 161.3 31.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.583 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -132.82 137.46 9.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -123.81 121.45 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.86 156.05 26.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.3 m -50.77 -24.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 m -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -49.21 -55.22 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -45.44 -51.55 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -47.63 -49.15 27.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.583 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -61.74 -57.98 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HD2' ' CD2' ' A' ' 25' ' ' TYR . 9.2 tptt -44.79 -35.58 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.665 ' CD ' HG21 ' A' ' 9' ' ' ILE . 7.2 mm100 -66.84 -72.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 65' ' ' ALA . 5.7 mt -44.37 -47.41 9.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.72 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -81.89 -46.09 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 47.2 tttm -40.62 -43.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -78.81 -57.62 3.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.26 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.936 ' CE2' HD11 ' A' ' 73' ' ' LEU . 68.2 t80 -54.49 -54.13 45.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.838 ' HA ' HD12 ' A' ' 73' ' ' LEU . 21.1 mm100 -48.91 -56.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -41.92 -53.75 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' A' ' 15' ' ' PHE . 20.5 mt -53.8 -50.64 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.936 HD11 ' CE2' ' A' ' 69' ' ' TYR . 4.7 mt -58.73 -41.79 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -152.29 171.68 17.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m 49.34 54.51 10.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.72 150.47 23.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -56.34 -33.03 65.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -127.4 -44.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.76 166.91 14.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -77.56 -30.7 52.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.869 -179.773 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.906 HG21 HE21 ' A' ' 62' ' ' GLN . 18.0 mm -33.78 -40.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.19 -30.44 9.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.833 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 15.2 mt -39.23 -58.03 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' PHE . 30.7 t -51.4 -62.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 12' ' ' VAL . 19.6 m-80 -35.9 -51.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.8 p -75.24 -30.62 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.747 ' CE1' HD13 ' A' ' 72' ' ' LEU . 8.1 t80 -61.42 -54.44 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -57.02 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -49.45 -48.16 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -56.13 -43.41 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -92.44 21.95 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt 39.56 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.513 HD11 ' HG3' ' A' ' 77' ' ' PRO . 20.4 mt -95.13 174.85 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.72 117.41 30.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.719 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -106.03 132.22 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -130.43 150.71 51.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.513 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 75.3 m-85 -126.46 105.7 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -88.64 136.75 32.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -114.74 112.34 22.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -118.72 132.79 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -94.17 143.21 26.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.601 0.715 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 121.98 8.66 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -42.85 -55.57 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -49.74 120.92 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -39.05 -70.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 7.3 mp -120.99 160.7 43.91 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.73 -179.6 19.58 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.371 -0.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -107.94 111.03 22.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.722 ' HD2' HD11 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -135.64 128.57 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.425 ' C ' HG13 ' A' ' 39' ' ' ILE . 28.3 m-85 -79.3 149.53 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.722 HD11 ' HD2' ' A' ' 37' ' ' ARG . 11.5 mt -138.36 136.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 61' ' ' LYS . 35.0 m -134.95 118.08 16.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 51' ' ' THR . 12.7 mttp -101.51 124.88 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.476 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 5.8 p -89.68 117.16 28.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -118.12 126.55 52.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.719 HD13 HG23 ' A' ' 23' ' ' VAL . 3.5 mm -103.34 102.49 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.92 52.16 39.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.44 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 62.55 25.25 15.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 m -124.43 129.72 51.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.8 ttm -74.28 115.86 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.438 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 11.3 m-85 -110.54 -61.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.476 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -131.29 160.56 23.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 41' ' ' LYS . 28.8 m -142.32 114.01 7.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.02 146.61 17.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.7 p -144.58 124.76 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.393 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.44 -175.27 23.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.79 -22.34 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.0 m -134.3 145.78 49.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -43.99 -62.65 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.53 -65.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -72.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.513 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 18.8 ttpp -38.11 -45.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.906 HE21 HG21 ' A' ' 9' ' ' ILE . 16.8 mt-30 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.3 mt -45.88 -48.32 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -34.57 -51.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -55.1 -55.68 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 46.3 tttm -37.33 -46.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -69.46 -46.02 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -56.68 -36.23 69.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.833 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 64.2 t80 -58.81 -68.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.443 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.9 pt20 -48.01 -37.81 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -58.1 -36.05 72.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.747 HD13 ' CE1' ' A' ' 15' ' ' PHE . 16.7 mt -73.37 -46.15 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' A' ' 69' ' ' TYR . 25.5 mt -56.14 -31.63 63.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -88.17 -46.79 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 t -132.22 86.17 47.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.708 0.766 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 169.41 18.98 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.513 ' HG3' HD11 ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.74 103.76 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.642 2.228 . . . . 0.0 112.389 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -47.34 101.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -110.3 151.51 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.74 -53.6 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.63 142.33 3.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -102.66 137.51 40.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.121 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.6 t -163.39 138.37 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.73 146.22 4.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -16.77 37.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.634 2.223 . . . . 0.0 112.376 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.7 p -40.79 -34.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.806 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -160.02 134.17 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 p -73.14 -43.57 61.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 m -46.94 150.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.84 140.3 3.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -93.67 45.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -63.27 -42.4 99.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.67 110.57 1.3 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.685 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -95.34 -26.79 15.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 16.5 mm -36.14 -41.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.15 -21.44 32.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.728 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 31.0 mt -55.91 -53.13 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.657 ' CG1' ' HB1' ' A' ' 65' ' ' ALA . 12.9 p -67.24 -29.19 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -65.25 -33.95 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -91.88 -46.43 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.584 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 14.0 t80 -48.28 -46.54 36.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -60.73 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -49.5 -53.88 20.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -52.02 -37.58 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 25.1 mttm -93.08 22.35 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt 43.39 35.64 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.58 173.05 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -121.42 111.97 17.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.907 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -109.11 122.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.79 160.63 25.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -128.82 109.53 11.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -90.03 136.32 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -116.5 141.53 48.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' SG ' ' NZ ' ' A' ' 41' ' ' LYS . 2.3 m -89.5 176.45 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -97.75 154.57 37.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.03 54.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -104.51 145.39 30.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -68.01 -19.35 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -95.07 118.96 32.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 4.3 mp -92.27 157.44 40.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.718 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.77 172.31 49.64 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.322 -0.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -127.62 121.2 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.609 ' HD2' HD11 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -97.78 160.06 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 57' ' ' LYS . 11.3 m-85 -93.67 147.17 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.609 HD11 ' HD2' ' A' ' 37' ' ' ARG . 31.9 mt -142.16 128.05 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.3 t -125.99 155.36 41.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.45 ' NZ ' ' SG ' ' A' ' 28' ' ' CYS . 28.6 mttp -134.55 135.77 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 68' ' ' ALA . 23.5 p -104.07 118.84 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -119.67 128.04 53.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.907 HD13 HG23 ' A' ' 23' ' ' VAL . 2.9 mm -102.37 102.69 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.33 49.12 73.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 66.32 25.18 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.4 m -124.48 127.43 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.31 117.49 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -112.83 -57.32 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.71 165.43 26.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 41' ' ' LYS . 54.5 m -143.44 122.11 12.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -101.93 153.71 18.69 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -152.13 130.61 12.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.67 -167.54 25.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 m -88.99 -13.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -134.05 141.01 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG2' ' CD1' ' A' ' 38' ' ' PHE . 10.9 mmmt -47.24 -56.29 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -51.4 -45.57 62.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.93 -49.99 73.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.29 -68.78 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 26.1 ttpt -35.04 -45.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.506 ' HG2' HG21 ' A' ' 9' ' ' ILE . 28.0 mt-30 -61.11 -72.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 7.6 mt -37.11 -48.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -37.3 -44.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 12' ' ' VAL . . . -65.55 -47.37 76.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' ALA . 59.5 tttt -34.47 -56.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.76 -42.89 85.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -52.75 -60.99 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.728 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 72.1 t80 -44.03 -51.8 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -49.9 -50.74 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 75' ' ' SER . 55.6 mttt -50.42 -53.34 30.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.476 HD23 ' HD3' ' A' ' 77' ' ' PRO . 28.7 mt -47.19 -45.64 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.5 mt -65.83 -38.8 89.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -81.56 -74.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 71' ' ' LYS . 45.4 m -120.84 86.08 40.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.82 18.03 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.621 2.214 . . . . 0.0 112.369 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.476 ' HD3' HD23 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.78 -22.31 32.18 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -81.45 98.93 8.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -45.64 135.95 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -173.34 141.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 47.48 -171.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 t -44.7 141.39 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.773 0.32 . . . . 0.0 111.141 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.4 p -88.57 133.77 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.6 146.24 16.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.54 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.24 47.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.3 m -98.65 140.37 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.6 m -136.67 120.46 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 p -133.18 -50.75 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.898 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -43.92 -46.93 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.25 -115.08 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -116.32 147.67 41.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -103.72 137.02 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.7 125.63 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.629 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -71.41 -32.15 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.947 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.547 HG21 HE21 ' A' ' 62' ' ' GLN . 20.3 mm -34.04 -39.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.79 -30.49 8.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 69' ' ' TYR . 19.4 mt -40.8 -55.97 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' PHE . 96.5 t -53.47 -61.02 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 12.7 m-80 -34.36 -53.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m -75.85 -32.96 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.841 ' CE1' HD13 ' A' ' 72' ' ' LEU . 10.1 t80 -57.22 -48.35 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -64.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.25 -50.34 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -56.1 -36.19 67.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' HD12 ' A' ' 21' ' ' LEU . 25.8 mttm -95.27 17.54 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm 48.14 32.99 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 19' ' ' LYS . 12.6 mt -95.72 172.75 7.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -114.47 117.1 30.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.752 HG23 HD13 ' A' ' 44' ' ' ILE . 1.8 p -107.22 129.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -132.3 164.07 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 61' ' ' LYS . 65.9 m-85 -133.05 115.41 15.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -89.4 119.59 29.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -83.24 154.0 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 p -50.83 -179.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -112.48 143.51 29.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.741 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 31' ' ' ASN . 54.1 Cg_endo -69.72 -13.91 35.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.376 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' PRO . 12.2 m-20 -36.01 -54.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -118.5 116.67 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' C ' HD22 ' A' ' 34' ' ' LEU . 6.6 mm-40 -62.24 -50.78 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -101.82 152.93 38.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.77 146.71 82.95 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.356 -0.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -72.14 76.98 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 144.84 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 10.4 m-85 -93.71 136.47 33.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 17.1 mm -133.86 121.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.6 m -117.4 122.55 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -103.65 107.9 18.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.18 105.17 10.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -109.49 137.89 46.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.752 HD13 HG23 ' A' ' 23' ' ' VAL . 4.5 mm -110.01 106.8 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.71 43.41 99.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 71.08 26.87 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 96.6 m -123.84 134.99 53.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -78.56 121.57 24.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.04 -60.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.03 154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 t -135.56 159.13 42.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.56 150.99 19.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' CD1' ' A' ' 39' ' ' ILE . 96.0 p -132.94 131.59 41.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.3 177.36 38.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 56' ' ' THR . 28.4 m -64.63 -44.11 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.469 ' N ' HG23 ' A' ' 55' ' ' VAL . 24.2 m -112.71 148.94 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 48.1 tttm -43.15 -60.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -39.03 -64.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.69 -44.07 3.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.82 -66.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.572 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 29.7 tttt -41.38 -48.35 3.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.547 HE21 HG21 ' A' ' 9' ' ' ILE . 24.8 mt-30 -50.67 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.9 mt -43.78 -48.81 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -35.14 -48.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -61.04 -48.83 79.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 65' ' ' ALA . 48.0 tttt -36.95 -67.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -55.13 -45.43 75.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.6 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 11' ' ' LEU . 11.3 t80 -53.35 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -38.2 -47.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -51.96 -51.3 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.841 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -60.96 -45.98 92.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.2 mt -49.92 -30.18 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -91.06 -55.17 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 m -116.78 86.16 18.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.646 0.736 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.94 17.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.471 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.74 -12.07 32.18 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.349 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -95.7 166.42 11.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 79' ' ' THR . 7.6 t -65.48 122.51 17.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.39 130.2 42.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 157.68 -143.92 10.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 p -112.76 -32.02 6.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 111.127 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 56.46 38.9 30.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.05 149.16 24.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -15.53 37.2 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.0 m -115.97 159.96 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 t -82.27 134.47 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -62.15 -45.67 92.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -94.71 -55.17 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.24 158.63 10.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -54.69 154.38 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m 44.19 44.6 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.52 39.08 3.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -42.29 -29.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' TYR . 19.0 mm -34.33 -39.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.87 -28.18 12.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 17.6 mt -46.1 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 69' ' ' TYR . 39.0 t -48.06 -59.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' VAL . 43.6 m-20 -34.84 -56.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 t -73.94 -30.38 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CZ ' ' HE3' ' A' ' 19' ' ' LYS . 13.0 t80 -57.29 -51.9 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -62.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -46.86 -55.23 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -52.68 -40.87 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HE3' ' CZ ' ' A' ' 15' ' ' PHE . 39.4 mttt -89.56 20.26 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 43.56 35.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 mt -96.29 174.24 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.599 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.7 m -113.54 118.67 35.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 1.9 p -114.98 126.39 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.65 152.56 45.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 66.6 m-85 -124.59 99.89 6.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -88.34 138.99 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.452 ' NE2' ' HE3' ' A' ' 57' ' ' LYS . 2.1 mp0 -112.92 135.85 53.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -135.75 145.34 46.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -123.55 142.69 39.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -163.98 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -55.96 178.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -79.42 73.44 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -140.34 128.67 22.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 1.7 mm? -90.04 156.81 46.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.578 0.704 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.2 Cg_endo -69.83 176.57 32.29 Favored 'Cis proline' 0 C--O 1.231 0.144 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.323 -0.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -87.01 116.83 25.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -88.84 120.81 30.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 57' ' ' LYS . 12.8 m-85 -86.94 109.04 19.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.3 mt -114.01 118.72 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -109.18 153.05 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HG2' HG23 ' A' ' 51' ' ' THR . 15.5 mttp -136.61 121.87 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 3.1 t -87.89 115.57 25.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HZ3' ' HB2' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -121.81 128.6 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 22' ' ' SER . 6.1 mt -119.02 119.33 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.78 44.18 98.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 62.92 25.02 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.9 m -124.43 139.38 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -83.31 130.82 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE2' HD23 ' A' ' 72' ' ' LEU . 28.4 m-85 -121.79 -59.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.92 161.51 25.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.468 HG23 ' HG2' ' A' ' 41' ' ' LYS . 24.0 m -140.5 119.94 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.59 150.02 19.26 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 p -142.25 116.76 9.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.19 -172.57 19.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -85.01 -18.7 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -130.1 132.22 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 29.2 tttt -37.31 -50.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -52.87 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -40.23 -50.89 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -58.76 -68.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 24.0 ttpt -34.63 -61.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -38.87 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 mt -42.51 -43.39 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -42.91 -39.4 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -66.41 -52.68 44.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -38.49 -59.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.78 -35.43 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -65.06 -61.23 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.597 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 41.9 t80 -36.11 -63.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.777 ' HA ' HD12 ' A' ' 73' ' ' LEU . 28.7 mm-40 -57.74 -31.79 66.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 68' ' ' ALA . 14.1 tppt? -72.08 -27.35 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.559 HD23 ' CE2' ' A' ' 49' ' ' TYR . 12.0 mt -79.61 -38.73 33.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.777 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.5 mt -64.12 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -96.2 -47.43 6.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m -122.2 86.11 47.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.652 0.739 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 170.03 17.52 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.238 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.77 -7.78 21.94 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -55.84 88.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 t -91.64 -25.72 19.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.96 -51.11 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.0 150.77 5.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.0 p -57.63 170.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.108 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.3 p -104.14 175.74 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.58 147.12 16.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 127.7 15.01 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 p 43.96 45.06 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.9 t -118.22 -44.45 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.438 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -166.43 170.63 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -88.32 49.15 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 117.33 1.26 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -65.05 164.15 13.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -110.25 57.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.39 -179.04 2.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.707 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -92.67 -30.64 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.956 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.767 HG21 ' CD ' ' A' ' 62' ' ' GLN . 19.4 mm -33.92 -41.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.22 -32.23 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.038 HD13 ' CE2' ' A' ' 69' ' ' TYR . 13.2 mt -34.41 -46.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 68' ' ' ALA . 46.7 t -65.92 -60.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' VAL . 20.6 m-80 -35.68 -39.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 m -87.27 -41.21 13.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.933 ' CD1' HD13 ' A' ' 72' ' ' LEU . 5.9 t80 -49.97 -39.21 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.31 -69.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.53 -50.78 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 3.1 mptt -56.72 -38.36 72.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 13.1 mptt -95.15 20.38 9.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 16.7 pttm 43.67 40.41 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.1 mt -101.82 175.74 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 m -121.67 120.3 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.706 HG23 HD13 ' A' ' 44' ' ' ILE . 1.6 p -103.46 141.16 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -130.88 142.11 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -123.84 99.18 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.21 135.1 34.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.73 103.76 9.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 m -122.17 -178.7 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.83 143.86 37.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.744 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 31' ' ' ASN . 53.8 Cg_endo -69.75 140.07 41.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -35.5 -65.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 m -42.52 113.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -42.35 -68.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -112.68 155.79 43.41 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.7 172.65 47.82 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.331 -0.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -114.22 100.72 8.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 170.44 9.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CE2' ' HG3' ' A' ' 57' ' ' LYS . 23.4 m-85 -86.35 133.82 33.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.0 mm -129.81 129.61 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 21.2 m -121.29 149.11 43.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.06 117.65 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.4 t -95.69 107.13 19.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -110.29 140.34 44.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.706 HD13 HG23 ' A' ' 23' ' ' VAL . 3.7 mm -113.65 104.18 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.77 50.62 46.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 61.76 25.3 15.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.0 m -124.35 132.27 53.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 ttt -70.96 120.17 16.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.472 ' CD2' HG13 ' A' ' 44' ' ' ILE . 5.1 m-85 -114.39 -61.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.96 142.1 11.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -120.69 115.99 24.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.128 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.6 145.4 17.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.8 p -140.94 142.14 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.66 -168.37 35.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -94.06 -22.41 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' LYS . 1.7 m -125.38 138.09 54.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 25.3 mtpp -36.7 -58.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -42.38 -63.04 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -38.79 -60.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' A' ' 40' ' ' CYS . . . -61.19 -67.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -42.63 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.767 ' CD ' HG21 ' A' ' 9' ' ' ILE . 8.5 mm100 -82.93 -70.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' ALA . 7.3 mt -47.76 -46.74 30.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -36.12 -30.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -83.48 -48.21 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' LEU . 42.8 tttm -37.33 -43.28 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.17 -46.79 22.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -49.37 -52.89 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 1.038 ' CE2' HD13 ' A' ' 11' ' ' LEU . 28.5 t80 -46.67 -44.99 19.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -62.79 -43.79 97.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -50.93 -33.97 26.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.933 HD13 ' CD1' ' A' ' 15' ' ' PHE . 13.8 mt -73.92 -51.14 17.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.9 mt -51.22 -28.92 12.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -82.42 -62.35 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -126.54 86.21 58.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 168.73 20.78 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.75 175.0 8.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -117.99 161.86 19.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 79' ' ' THR . 14.8 t -67.73 123.17 19.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.66 126.87 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 172.12 114.84 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.5 m -113.84 -48.25 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 m -118.67 177.0 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.69 73.16 0.4 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -33.04 17.36 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.36 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 t -41.09 107.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 m -48.89 135.64 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -95.3 -52.12 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 p -154.56 119.0 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.07 -152.91 8.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -125.0 170.73 10.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -94.49 141.3 28.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.53 75.59 1.22 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.749 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -92.04 -30.87 15.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.523 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 20.3 mm -33.96 -35.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -94.11 -34.57 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.422 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 8' ' ' TYR . 18.5 mt -38.69 -45.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.13 -59.39 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -39.31 -52.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 18.2 m -71.21 -60.99 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.674 ' CE1' HD13 ' A' ' 72' ' ' LEU . 41.7 t80 -36.5 -57.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.05 -65.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -51.8 -47.86 64.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -54.65 -38.34 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -92.21 18.09 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 49.12 31.05 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.1 173.67 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -117.58 120.56 38.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 44' ' ' ILE . 1.7 p -103.53 131.44 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -127.02 153.22 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -132.05 101.0 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -89.43 137.86 31.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -113.7 139.83 48.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 m -89.57 168.1 12.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -81.23 151.57 69.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 106.28 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -84.23 149.72 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 33' ' ' GLU . 32.5 t -52.22 -39.68 60.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 2.2 pp20? -35.28 121.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 92.3 mt -110.61 153.07 43.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.563 0.697 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.76 167.26 71.67 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.313 -0.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.49 ' HG3' ' CD2' ' A' ' 34' ' ' LEU . 97.6 mt-30 -75.26 117.81 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.45 131.16 53.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -82.05 154.46 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 53' ' ' SER . 3.2 mm -129.81 147.46 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.72 105.99 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 3.8 ttmp? -93.26 114.13 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -83.86 113.38 20.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 47' ' ' THR . 13.3 mmmt -113.32 118.57 34.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.64 HD13 HG23 ' A' ' 23' ' ' VAL . 3.4 mm -94.29 105.59 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.84 44.46 92.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 71.79 25.43 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.935 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.423 ' C ' ' HD2' ' A' ' 43' ' ' LYS . 30.4 m -124.38 113.97 18.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -65.5 109.75 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' CE2' ' HB ' ' A' ' 44' ' ' ILE . 12.3 m-85 -104.56 -56.97 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.37 166.17 30.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 t -141.97 156.23 45.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.06 160.43 23.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' HD13 ' A' ' 39' ' ' ILE . 96.6 p -145.74 134.96 22.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' HA3' ' CG ' ' A' ' 59' ' ' GLU . . . -166.72 153.46 23.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -48.79 -24.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.121 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -127.17 144.89 50.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -39.62 -64.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLU . 2.4 tp-100 -38.99 -66.14 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' GLN . 10.6 tp10 -34.47 -47.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -71.43 -69.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -38.7 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HA ' HG23 ' A' ' 9' ' ' ILE . 28.2 mt-30 -70.83 -70.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -45.95 -42.67 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.8 -35.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -73.49 -44.69 57.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 8' ' ' TYR . 36.2 tttm -42.87 -64.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -59.35 -46.05 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.03 -45.19 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 73' ' ' LEU . 43.3 t80 -61.12 -59.62 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.948 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -42.87 -43.12 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -59.2 -54.3 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.674 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -52.57 -39.63 61.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 69' ' ' TYR . 74.6 mt -60.0 -29.16 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -83.91 -51.07 7.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.3 p -129.63 86.19 56.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 166.43 27.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.376 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.76 -33.61 16.25 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -92.17 168.56 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 79' ' ' THR . 19.5 m -111.67 44.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.49 -56.6 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.01 145.59 4.38 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 p -60.44 -34.76 74.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 111.129 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.6 p 50.06 41.84 23.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.07 165.33 22.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.72 -5.86 17.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.707 2.272 . . . . 0.0 112.311 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 85' ' ' PRO . 2.5 m -34.6 -47.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -112.34 86.05 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 p -125.32 166.83 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -85.36 153.13 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.28 160.73 9.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -105.94 138.97 41.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 8' ' ' TYR . 75.7 m -138.29 170.64 15.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.64 67.96 0.3 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.654 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -63.48 -29.07 70.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.579 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 32.2 mm -34.47 -39.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.37 -26.98 14.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.887 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 15.4 mt -46.65 -60.55 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 68' ' ' ALA . 21.4 t -43.01 -58.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -39.63 -51.76 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' PHE . 64.3 m -73.31 -62.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 6.8 t80 -33.77 -51.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.96 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -50.23 -49.42 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' HB3' ' A' ' 14' ' ' SER . 30.4 mttm -53.63 -39.47 65.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.557 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mptt -91.84 19.82 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm 45.86 37.71 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.2 mt -97.72 175.06 6.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.59 118.35 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.651 HG23 ' CD1' ' A' ' 44' ' ' ILE . 1.6 p -102.57 130.39 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -125.97 148.36 49.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.69 110.36 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.36 138.16 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -110.3 143.44 40.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.8 m -104.19 167.18 9.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -126.28 154.27 74.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -0.23 6.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 m120 64.26 30.18 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m 56.2 48.9 16.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -171.73 125.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' CD1' ' HA ' ' A' ' 35' ' ' PRO . 3.9 mm? -71.95 159.1 86.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 54.5 Cg_endo -69.76 176.82 31.04 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.355 -0.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -125.1 126.71 45.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HE ' HD11 ' A' ' 39' ' ' ILE . 16.7 ttp-105 -129.59 151.15 50.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -101.46 118.61 37.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.407 HD11 ' HE ' ' A' ' 37' ' ' ARG . 65.6 mt -122.2 127.98 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.04 124.43 42.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HG2' HG23 ' A' ' 51' ' ' THR . 26.4 mttp -106.33 129.12 54.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 15.1 p -96.88 119.41 35.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -122.71 139.68 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 23' ' ' VAL . 3.7 mm -121.61 105.68 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' ' CG ' ' A' ' 46' ' ' GLN . . . 66.39 64.7 3.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 20.0 pt20 47.26 25.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -125.27 141.46 52.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -81.57 125.14 30.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.7 m-85 -115.33 -60.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -141.38 165.95 26.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.675 HG23 ' HG2' ' A' ' 41' ' ' LYS . 90.5 m -144.02 113.79 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 111.136 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.75 146.16 16.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.3 p -140.93 122.22 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.99 -178.43 24.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.7 m -79.56 -18.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -132.39 141.51 48.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -42.67 -45.53 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -60.01 -47.12 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -55.12 -48.18 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -69.6 -71.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 60' ' ' ALA . 18.7 ttpp -34.6 -46.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' HG2' HG21 ' A' ' 9' ' ' ILE . 10.3 mt-30 -57.25 -72.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 64' ' ' ALA . 10.1 mt -39.1 -53.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.97 -58.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -45.97 -53.6 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -43.86 -49.14 8.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -63.24 -55.66 23.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -47.86 -42.81 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.887 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 34.4 t80 -55.63 -60.57 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -40.66 -54.88 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -52.12 -52.21 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 15' ' ' PHE . 11.5 mt -49.33 -47.36 47.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 10.0 mt -55.78 -34.32 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -78.33 -56.81 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.1 m -126.92 86.06 59.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.713 0.768 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 168.53 21.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 151.69 69.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -128.29 150.92 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -121.91 138.67 54.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.46 -58.84 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -168.67 65.67 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -109.34 124.72 51.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.358 . . . . 0.0 111.165 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -144.54 135.71 25.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.72 175.51 30.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.87 69.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.0 p -73.22 164.35 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.3 t -97.77 -60.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -77.38 81.0 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 p -76.16 137.4 40.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.71 -61.7 0.32 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -71.53 121.54 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -108.44 124.0 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.82 74.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -96.04 -30.65 13.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.497 HG21 ' HG2' ' A' ' 62' ' ' GLN . 19.9 mm -34.65 -40.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.94 -27.7 18.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.771 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 20.9 mt -46.53 -61.49 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' ASN . 38.4 t -43.78 -61.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 6.4 m-80 -34.61 -72.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' PHE . 5.5 m -55.92 -56.15 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 19' ' ' LYS . 7.8 t80 -35.68 -63.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -40.35 -61.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -48.61 -50.21 33.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -53.52 -37.48 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 8.3 mptt -94.26 22.18 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 10.3 ptpt 44.19 32.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.47 176.34 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.25 139.4 52.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 44' ' ' ILE . 1.3 p -123.37 129.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -121.42 149.51 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -124.85 97.89 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -84.89 138.96 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -115.76 108.8 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 p -38.36 157.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -102.01 142.96 25.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.727 . . . . 0.0 110.956 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -166.47 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 59.42 41.27 19.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.6 m -133.16 -39.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -162.07 155.11 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.549 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 11.5 mt -124.37 150.89 65.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.76 -178.96 17.86 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.383 -0.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.24 110.91 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -105.05 133.17 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -86.01 119.86 26.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.96 130.1 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 t -120.5 116.07 24.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.648 ' HG2' HG23 ' A' ' 51' ' ' THR . 33.4 mtmt -101.66 130.99 48.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.4 t -102.43 112.08 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -111.15 133.81 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.529 HD13 HG23 ' A' ' 23' ' ' VAL . 5.3 mm -101.61 101.77 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.09 49.28 76.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 68.95 25.43 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 m -123.36 131.98 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 ttt -76.29 114.01 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -110.36 -60.85 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.54 148.53 20.16 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 41' ' ' LYS . 18.8 m -125.93 112.83 16.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.93 147.6 18.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 p -136.75 139.3 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.01 161.77 34.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.66 -26.91 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.2 m -120.32 144.52 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -45.25 -61.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' GLU . 34.5 tt0 -42.99 -67.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' GLN . 25.7 tt0 -36.56 -50.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -65.17 -72.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.2 ttpt -36.87 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.497 ' HG2' HG21 ' A' ' 9' ' ' ILE . 31.6 mt-30 -70.94 -67.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -47.81 -48.28 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.02 -37.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -69.66 -47.82 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.056 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -39.22 -60.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -59.27 -52.39 65.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.34 -42.04 14.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CE2' HD11 ' A' ' 73' ' ' LEU . 78.6 t80 -60.63 -50.49 73.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.661 ' HA ' HD12 ' A' ' 73' ' ' LEU . 66.7 mm-40 -53.78 -45.23 70.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -52.65 -46.54 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' CD2' ' HD3' ' A' ' 77' ' ' PRO . 12.5 mt -61.49 -48.21 82.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.831 HD11 ' CE2' ' A' ' 69' ' ' TYR . 15.3 mt -54.92 -30.7 59.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -84.73 -62.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.9 m -120.87 86.11 40.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.76 20.59 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.482 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.77 -16.75 37.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER 34.4 47.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -106.13 142.13 36.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.84 -44.81 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.51 -63.88 1.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t 39.83 40.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.1 t -77.55 -49.5 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.61 -95.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.13 22.69 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.4 t -154.93 140.85 18.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.6 t -102.97 135.92 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -40.99 110.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -77.43 83.25 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.85 179.88 48.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -120.32 141.53 49.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' GLY . 43.6 t -173.52 130.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.22 112.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -84.41 -31.45 24.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.468 HG23 ' HA ' ' A' ' 62' ' ' GLN . 20.3 mm -34.06 -41.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.01 -29.88 9.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 8' ' ' TYR . 18.7 mt -39.67 -57.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 29.3 t -50.68 -63.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.5 m-80 -34.55 -66.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' PHE . 12.1 t -57.22 -57.43 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CE1' HD13 ' A' ' 72' ' ' LEU . 13.5 t80 -34.55 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.89 -65.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -45.69 -52.45 10.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -51.29 -40.11 58.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HB2' HD12 ' A' ' 21' ' ' LEU . 53.6 mttt -93.65 23.14 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 40.38 39.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 19' ' ' LYS . 8.1 mt -97.58 170.06 9.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -109.93 114.65 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.843 HG23 HD13 ' A' ' 44' ' ' ILE . 1.9 p -109.13 131.76 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -128.64 161.04 30.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 94.7 m-85 -132.29 103.62 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.74 137.26 32.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -123.01 134.41 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -108.72 151.52 26.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -84.34 149.8 55.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' SER . 54.2 Cg_endo -69.72 -33.61 16.39 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.368 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' PRO . 18.5 t-20 -37.31 -31.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' PRO . 2.5 m -97.81 -65.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -78.3 115.18 17.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 3.6 mp -115.23 160.87 32.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.649 0.738 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.76 154.02 93.14 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.339 -0.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -38.29 96.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' NE ' HD11 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -134.12 165.55 24.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -97.09 137.72 35.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.517 HD11 ' NE ' ' A' ' 37' ' ' ARG . 36.8 mt -140.39 144.27 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.39 116.18 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -99.64 121.85 41.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 t -91.6 115.11 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -112.63 146.78 38.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.843 HD13 HG23 ' A' ' 23' ' ' VAL . 3.2 mm -122.68 102.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.69 43.43 75.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 68.45 26.42 6.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -124.36 135.3 53.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -77.0 123.78 26.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -118.03 -61.18 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.43 170.72 31.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -149.65 162.96 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -131.72 156.02 21.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.4 p -140.71 128.05 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.1 -176.38 35.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.88 -33.08 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.2 m -120.63 135.68 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' THR . 37.1 ttpt -37.56 -56.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -43.49 -60.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -44.83 -39.16 5.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.92 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 25' ' ' TYR . 29.6 tttm -45.25 -39.73 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.468 ' HA ' HG23 ' A' ' 9' ' ' ILE . 29.2 mt-30 -56.2 -65.16 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.84 -42.76 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.25 -27.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -79.29 -53.08 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' ' CD1' ' A' ' 8' ' ' TYR . 27.7 tttt -36.24 -51.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.3 -47.57 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -52.27 -32.4 37.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.599 ' CE2' HD11 ' A' ' 73' ' ' LEU . 47.5 t80 -66.07 -55.48 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.97 -43.54 70.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -52.8 -35.34 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.641 HD13 ' CE1' ' A' ' 15' ' ' PHE . 13.4 mt -75.71 -47.65 25.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.599 HD11 ' CE2' ' A' ' 69' ' ' TYR . 47.0 mt -53.2 -27.71 23.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.99 -51.28 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.2 m -120.28 86.14 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 162.19 43.01 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.51 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.77 138.07 36.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -111.27 99.49 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.7 p -120.91 99.25 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.57 134.74 52.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.58 -141.78 15.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -169.4 154.44 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 111.149 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 t -61.89 143.35 56.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.69 144.42 19.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 90.57 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -61.01 136.9 58.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.1 m -83.69 119.09 24.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -46.01 125.29 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m -143.09 126.42 16.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.63 119.0 3.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -70.08 102.3 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -99.37 -41.42 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.72 52.64 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -45.1 -30.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.572 HG21 ' HG2' ' A' ' 62' ' ' GLN . 17.5 mm -33.28 -43.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.8 -30.41 15.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.831 HD13 ' CE2' ' A' ' 69' ' ' TYR . 26.7 mt -43.59 -33.27 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -77.59 -65.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -41.89 -26.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -95.68 -46.02 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' ' 72' ' ' LEU . 78.0 t80 -55.15 -45.92 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -61.49 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -51.87 -46.69 64.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -57.71 -32.23 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -98.64 20.42 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.5 35.32 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.743 HD11 ' HG3' ' A' ' 77' ' ' PRO . 13.7 mt -93.06 175.35 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' ILE . 2.5 m -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 p -103.86 130.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -126.01 159.27 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.17 101.96 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HG3' ' CE ' ' A' ' 43' ' ' LYS . 4.9 mm-40 -84.26 130.02 34.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -108.61 128.55 54.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -61.56 157.22 17.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.41 146.08 56.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' ASN . 53.9 Cg_endo -69.77 -1.74 8.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' PRO . 20.0 t30 -36.99 -42.16 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.9 t -62.55 161.17 12.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -87.44 -175.03 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -82.68 158.8 64.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.94 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.72 137.63 44.79 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.339 -0.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -104.57 114.82 29.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.449 ' HD2' HD11 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.4 177.3 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -91.91 129.16 37.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.449 HD11 ' HD2' ' A' ' 37' ' ' ARG . 3.0 mp -121.11 144.45 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 8.6 p -145.11 135.55 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -119.84 107.91 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 2.0 t -71.83 112.79 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' CE ' ' HG3' ' A' ' 26' ' ' GLU . 44.0 mttt -122.58 129.51 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 22' ' ' SER . 1.8 mt -119.92 112.41 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.12 46.02 89.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 62.18 25.02 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 m -124.58 131.25 53.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.1 ttt -77.69 129.79 35.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -121.57 -60.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.58 158.93 24.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.0 m -144.49 118.15 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.97 159.94 13.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.6 p -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.34 173.38 28.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.8 m -61.84 -41.17 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 m -112.47 146.63 38.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -41.18 -53.01 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' GLU . 13.0 mt-30 -45.4 -65.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 3.0 tp10 -38.57 -43.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' SG ' ' A' ' 40' ' ' CYS . . . -74.92 -71.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -42.67 -23.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.572 ' HG2' HG21 ' A' ' 9' ' ' ILE . 11.0 mt-30 -78.46 -72.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ALA . 7.9 mt -41.61 -50.57 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.595 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . . . -34.13 -56.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -53.47 -54.79 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' ALA . 80.5 tttt -36.48 -61.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.25 -39.99 76.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.66 -58.04 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.831 ' CE2' HD13 ' A' ' 11' ' ' LEU . 17.5 t80 -41.88 -65.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -53.55 -26.59 21.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 1.8 tmtp? -81.15 -27.67 35.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 15' ' ' PHE . 12.0 mt -86.19 -24.22 26.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.01 -36.57 83.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -101.36 -33.19 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -121.31 86.14 43.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.644 0.735 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 169.74 18.13 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.743 ' HG3' HD11 ' A' ' 21' ' ' LEU . 53.5 Cg_endo -69.74 174.88 8.84 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.52 -62.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.2 m -77.09 139.95 40.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.13 169.45 17.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -149.17 -68.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 82' ' ' THR . 15.6 m 54.89 34.67 22.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 0.0 111.15 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 p -109.4 102.16 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 170.8 85.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 157.74 59.29 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.2 t -167.52 166.04 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -92.04 41.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -63.63 -57.53 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -162.77 144.01 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.18 -128.97 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 m -67.78 152.51 45.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -97.31 144.29 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.17 48.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -93.75 -31.83 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.796 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' TYR . 21.0 mm -34.71 -38.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.82 -26.92 13.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.9 HD13 ' CE2' ' A' ' 69' ' ' TYR . 26.9 mt -46.83 -52.11 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 69' ' ' TYR . 25.6 t -56.68 -59.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 5.1 m-80 -34.69 -55.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.5 m -70.01 -47.5 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.552 ' CE1' ' HD3' ' A' ' 19' ' ' LYS . 6.1 t80 -41.69 -67.64 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -39.01 -60.36 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -50.67 -47.2 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -56.57 -37.79 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 6.5 mptt -95.17 20.74 8.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 46.48 33.39 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 ' HG3' ' A' ' 77' ' ' PRO . 10.3 mt -96.71 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.26 124.76 52.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' CD1' ' A' ' 44' ' ' ILE . 3.0 p -111.01 125.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.59 153.17 44.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -126.77 101.47 6.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -96.46 127.5 42.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.37 152.45 35.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.95 155.75 18.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -102.07 144.13 27.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 103.04 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' C ' ' OD1' ' A' ' 31' ' ' ASN . 39.1 t-20 -103.79 69.32 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t 56.77 44.18 23.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.56 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.3 pt-20 -124.85 126.67 45.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 33' ' ' GLU . 3.1 mm? -122.61 158.14 57.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.79 173.8 43.23 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.307 -0.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -77.47 105.4 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.515 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 5.0 ptt85 -122.4 144.35 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.47 119.35 39.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.515 HD11 ' CZ ' ' A' ' 37' ' ' ARG . 17.8 mt -112.72 135.14 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.2 t -131.7 114.01 14.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -102.37 118.59 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -87.02 114.92 24.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -112.4 123.07 49.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.861 ' CD1' HG23 ' A' ' 23' ' ' VAL . 3.6 mm -98.38 109.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.46 50.89 62.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 64.19 25.63 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -124.06 132.78 53.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 ttt -79.11 113.46 17.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 11.6 m-85 -106.19 -60.81 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.44 164.12 29.71 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -144.15 161.42 38.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 111.207 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.39 26.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -150.8 131.69 14.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.83 173.44 35.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -63.4 -30.78 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -120.53 145.32 47.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -42.11 -62.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLU . 21.6 tt0 -41.31 -60.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' GLN . 11.3 tt0 -35.11 -50.41 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -60.85 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -44.2 -24.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -80.05 -68.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 6.0 mt -45.44 -48.82 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.65 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' LEU . . . -74.68 -45.58 43.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 44.1 tttt -41.64 -49.48 4.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.89 -55.41 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.85 -49.62 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.9 ' CE2' HD13 ' A' ' 11' ' ' LEU . 21.7 t80 -52.81 -59.87 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 73' ' ' LEU . 9.0 mm100 -43.73 -49.16 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -56.06 -40.08 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 77' ' ' PRO . 12.6 mt -66.7 -43.72 83.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.712 HD21 ' CZ ' ' A' ' 69' ' ' TYR . 22.2 mt -60.57 -29.76 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -82.68 -67.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.0 p -123.3 86.12 51.84 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.91 17.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.227 . . . . 0.0 112.378 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.736 ' HG3' HD11 ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.73 129.35 17.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.362 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 79' ' ' THR . 18.2 ttmm -72.22 -47.26 51.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 78' ' ' LYS . 35.8 p -34.04 -58.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.91 135.81 53.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.94 79.45 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 82' ' ' THR . 12.0 t -87.15 124.39 33.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.103 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 t -60.67 -57.68 11.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.17 150.69 11.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.4 Cg_endo -69.79 97.66 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 85' ' ' PRO . 21.0 t 34.38 42.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -142.1 130.36 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -152.65 165.2 35.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.806 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -116.72 43.62 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.55 166.49 14.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -145.1 129.78 18.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -61.27 -39.68 91.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.37 137.89 2.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -71.48 -27.53 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.679 HG21 ' NE2' ' A' ' 62' ' ' GLN . 18.5 mm -37.46 -38.2 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.74 -28.79 11.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.85 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 19.7 mt -45.08 -63.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 13' ' ' ASN . 45.7 t -41.02 -62.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 10.8 m-80 -35.01 -60.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' PHE . 21.8 m -63.26 -62.12 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CD1' ' HD3' ' A' ' 19' ' ' LYS . 4.5 t80 -33.88 -54.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.52 -65.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -49.14 -48.29 44.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -55.22 -39.1 69.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -93.19 18.28 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt 49.12 30.06 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.407 HD11 ' HG3' ' A' ' 77' ' ' PRO . 26.3 mt -92.12 174.95 7.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.06 136.64 54.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.767 HG23 ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -118.86 126.63 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -116.57 126.44 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -113.27 100.33 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -95.92 123.99 39.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -89.59 153.84 20.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.58 140.91 55.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.25 141.16 57.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.652 0.739 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.22 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -108.83 164.07 12.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.3 p -92.64 38.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -124.31 96.04 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 6.0 mp -80.6 160.09 67.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.0 Cg_endo -69.87 170.73 57.51 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.335 -0.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -98.51 120.76 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.822 ' HE ' HD11 ' A' ' 39' ' ' ILE . 20.6 ttp-105 -121.69 137.05 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -86.96 120.81 28.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.822 HD11 ' HE ' ' A' ' 37' ' ' ARG . 88.5 mt -132.56 121.33 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 t -106.25 157.57 17.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.822 ' HD3' HG23 ' A' ' 51' ' ' THR . 45.7 mmtt -129.97 123.37 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.5 t -99.63 103.74 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -111.81 126.55 55.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.767 ' CD1' HG23 ' A' ' 23' ' ' VAL . 5.5 mm -104.27 105.7 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.93 49.25 49.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 63.42 24.98 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -125.92 135.77 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 tpt -74.94 113.8 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.6 m-85 -104.9 -62.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.87 161.22 24.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.822 HG23 ' HD3' ' A' ' 41' ' ' LYS . 29.6 m -131.71 126.95 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.175 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -105.31 139.96 14.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -139.13 120.98 15.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.07 -173.78 29.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 m -95.56 -21.78 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -118.41 137.46 53.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -41.29 -60.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -49.87 -56.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -41.85 -67.02 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -58.91 -67.2 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -38.63 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.679 ' NE2' HG21 ' A' ' 9' ' ' ILE . 15.8 mt-30 -78.15 -65.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' LYS . 10.6 mt -44.89 -47.59 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.94 -40.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.35 -46.73 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' LEU . 3.0 ttmp? -45.45 -34.41 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -81.17 -42.14 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.26 94.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.85 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 56.9 t80 -50.54 -55.11 17.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.408 ' HA ' HD12 ' A' ' 73' ' ' LEU . 80.7 mt-30 -50.02 -48.92 52.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -48.6 -39.08 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 15' ' ' PHE . 15.2 mt -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.569 HD11 ' CE2' ' A' ' 69' ' ' TYR . 28.5 mt -49.01 -28.58 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -85.74 -63.91 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.7 p -119.2 86.16 31.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 0.0 110.83 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.68 26.74 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HG3' HD11 ' A' ' 21' ' ' LEU . 53.4 Cg_endo -69.77 -26.2 27.8 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.648 2.232 . . . . 0.0 112.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -114.77 141.52 47.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -82.92 44.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.46 157.17 16.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 38.41 89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -109.94 101.88 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -171.31 125.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.22 99.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 94.93 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -115.98 116.94 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m 62.73 40.45 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.447 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -167.93 171.69 9.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.879 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -111.81 40.11 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.77 -148.75 41.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -54.63 169.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -110.53 -70.34 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.805 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.77 110.95 1.64 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.656 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -90.48 -28.78 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.541 HG23 ' HA ' ' A' ' 62' ' ' GLN . 17.9 mm -33.36 -41.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.06 -26.99 12.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 8' ' ' TYR . 21.2 mt -46.77 -48.34 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 69' ' ' TYR . 90.1 t -57.79 -60.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' VAL . 17.3 m-80 -34.42 -48.64 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -77.77 -40.66 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.791 ' CD2' HD13 ' A' ' 72' ' ' LEU . 10.1 t80 -47.91 -62.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.04 -59.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -48.33 -55.0 11.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -52.16 -36.86 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HB2' HD12 ' A' ' 21' ' ' LEU . 35.1 mttm -96.29 23.47 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt 40.37 32.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 19' ' ' LYS . 12.3 mt -92.41 175.15 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 m -118.37 119.77 35.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.648 HG23 HD13 ' A' ' 44' ' ' ILE . 2.5 p -106.83 134.24 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -130.35 141.87 50.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -120.52 99.34 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.93 142.94 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -124.15 144.29 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -94.62 155.04 17.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -87.52 144.91 36.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.854 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.06 2.98 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.32 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -50.66 159.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.9 m -71.29 -14.82 62.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' OE2' HD12 ' A' ' 34' ' ' LEU . 4.8 tp10 -133.74 165.83 24.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.632 ' H ' HD12 ' A' ' 34' ' ' LEU . 4.7 mp -69.42 151.26 96.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.631 0.729 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.8 Cg_endo -69.75 158.35 91.06 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.368 -0.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -123.75 43.13 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HD2' HD11 ' A' ' 39' ' ' ILE . 1.1 ptp85 -88.18 173.51 8.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -103.02 156.75 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.503 HD11 ' HD2' ' A' ' 37' ' ' ARG . 10.3 mm -143.52 112.54 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.488 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 6.0 m -103.97 147.69 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -134.4 118.47 17.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.7 t -94.1 112.13 23.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.09 138.56 50.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.648 HD13 HG23 ' A' ' 23' ' ' VAL . 4.5 mm -111.03 111.62 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.72 39.42 97.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 71.9 25.4 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.1 m -124.42 142.4 51.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -78.26 123.36 26.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 13.5 m-85 -121.2 -58.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.83 137.38 8.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 41' ' ' LYS . 25.1 m -118.21 119.95 36.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.191 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.81 148.11 16.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 1.5 t -136.37 141.59 43.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.53 165.9 37.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -66.38 -30.16 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.958 0.408 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 m -120.91 136.14 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -38.74 -53.0 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' GLU . 9.6 tp-100 -44.76 -67.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLN . 4.7 tp10 -37.12 -60.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 40' ' ' CYS . . . -57.76 -66.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.9 tptm -34.27 -43.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.541 ' HA ' HG23 ' A' ' 9' ' ' ILE . 20.1 mt-30 -63.46 -71.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.7 mt -44.75 -53.0 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.91 -39.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -70.36 -51.99 25.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ALA . 77.2 tttt -37.68 -55.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -45.66 93.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.3 -60.01 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.627 ' CE2' HD13 ' A' ' 11' ' ' LEU . 32.7 t80 -48.23 -55.69 9.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -47.37 -49.28 24.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -56.45 -38.13 71.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.791 HD13 ' CD2' ' A' ' 15' ' ' PHE . 13.0 mt -68.64 -44.29 74.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.612 HD21 ' CE2' ' A' ' 69' ' ' TYR . 67.3 mt -54.04 -33.67 57.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.66 -62.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 t -109.08 86.16 3.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.737 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 169.41 19.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.497 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.71 176.56 6.57 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -121.07 138.78 54.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.4 p -101.58 89.05 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.44 155.44 46.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.23 82.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -122.09 146.03 47.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.8 p -107.76 168.66 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.57 -174.58 13.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.541 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -177.79 2.03 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 p -131.75 -47.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.9 m -117.15 114.92 24.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -120.83 89.79 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -48.46 -52.78 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.17 -40.16 3.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -94.11 154.29 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -148.86 152.33 36.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' ILE . . . -67.11 81.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.542 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -39.64 -28.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 -179.781 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.831 HG21 ' CD ' ' A' ' 62' ' ' GLN . 17.2 mm -31.86 -42.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -93.94 -31.94 7.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.791 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 12.2 mt -36.41 -59.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -54.33 -62.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' VAL . 35.5 m-80 -34.03 -64.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.5 p -62.01 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.829 ' CD1' HD13 ' A' ' 72' ' ' LEU . 27.8 t80 -49.11 -48.07 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -67.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -47.06 -54.07 11.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -53.76 -41.78 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 13.9 mptt -90.98 17.6 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 44.11 35.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.873 HD21 ' HB3' ' A' ' 77' ' ' PRO . 12.7 mt -91.64 176.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -117.46 109.57 16.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 p -108.07 133.01 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -130.36 133.52 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.04 106.57 10.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -105.66 158.6 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -127.48 120.87 29.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.3 143.12 40.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -100.56 158.69 31.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 92.17 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -102.5 46.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.8 m 67.68 48.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -131.67 92.97 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 5.9 mp -99.74 152.88 37.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.701 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.9 Cg_endo -69.71 144.19 75.85 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.326 -0.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -75.66 109.77 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -116.12 159.36 21.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -91.42 119.3 31.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' GLY . 58.2 mt -127.92 137.78 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.7 t -126.29 115.15 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -88.46 126.83 35.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' CA ' ' A' ' 50' ' ' GLY . 29.6 p -108.82 106.92 17.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -116.1 138.94 50.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -119.7 107.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.53 37.82 62.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 70.49 25.03 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.8 m -125.57 134.37 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.8 ttt -71.77 119.72 16.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.487 ' CD2' ' HG2' ' A' ' 71' ' ' LYS . 5.4 m-85 -110.66 -53.18 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.496 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -150.08 168.97 30.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -143.29 108.17 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -83.72 146.92 23.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.2 p -150.56 122.98 8.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.66 -175.48 29.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -72.95 -32.04 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.384 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 3.8 m -120.16 132.82 55.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -37.96 -58.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -43.85 -49.74 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.62 -38.73 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.64 -65.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -45.37 -36.29 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.831 ' CD ' HG21 ' A' ' 9' ' ' ILE . 6.9 mm100 -60.84 -57.03 14.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.3 mt -60.91 -47.57 85.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.01 -47.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -46.21 77.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 63' ' ' LEU . 18.1 tttp -38.5 -54.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.78 -54.18 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -41.56 -46.22 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.791 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 84.9 t80 -46.34 -58.97 3.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -47.32 -49.3 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -51.53 -54.73 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.829 HD13 ' CD1' ' A' ' 15' ' ' PHE . 11.7 mt -49.25 -44.86 44.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 ' CE2' ' A' ' 69' ' ' TYR . 72.1 mt -59.02 -28.24 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -77.54 -52.07 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -134.8 85.54 35.46 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.16 17.23 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.873 ' HB3' HD21 ' A' ' 21' ' ' LEU . 53.9 Cg_endo -69.75 122.9 9.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -65.79 -51.01 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 m -114.54 134.24 55.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -94.12 55.53 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.03 140.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.2 m -99.33 131.4 45.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -57.94 165.83 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.82 -150.61 13.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.25 6.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 m -153.87 169.91 22.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 p 42.13 41.68 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -77.56 85.25 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -155.03 161.57 41.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.76 158.89 14.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.437 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -135.75 164.9 26.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.366 . . . . 0.0 110.885 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 t -111.21 103.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.03 119.71 0.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -97.93 -29.63 13.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 -179.807 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.635 HG21 HE21 ' A' ' 62' ' ' GLN . 16.0 mm -33.1 -40.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.23 -31.18 8.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' TYR . 11.6 mt -38.87 -54.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 13' ' ' ASN . 79.3 t -53.54 -60.42 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 12' ' ' VAL . 23.7 m-20 -34.98 -53.28 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.9 m -72.07 -40.6 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' A' ' 72' ' ' LEU . 3.1 t80 -45.84 -61.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.35 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -42.77 -50.6 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -54.67 -42.16 71.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -93.41 22.27 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.24 30.98 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 77' ' ' PRO . 10.5 mt -92.41 176.2 6.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.87 140.46 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.755 HG23 HD13 ' A' ' 44' ' ' ILE . 1.2 p -123.0 135.12 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -129.31 138.82 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 75.9 m-85 -112.77 97.27 6.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -85.4 139.5 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -115.94 155.77 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.2 t -66.04 154.35 39.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 1.1 pp20? -75.77 146.03 79.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.661 0.743 . . . . 0.0 110.889 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 102.22 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.376 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -107.9 144.74 34.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.8 m -91.87 30.42 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -107.2 102.58 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 50.1 mt -72.71 154.61 91.28 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 54.2 Cg_endo -69.76 177.25 29.53 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.362 -0.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.09 127.71 55.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -133.63 159.33 40.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 12.9 m-85 -108.21 129.64 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 11.1 mm -135.52 129.39 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.08 154.93 40.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' A' ' 51' ' ' THR . 36.9 mttp -137.23 128.2 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -96.06 113.5 25.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -113.4 132.01 55.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.755 HD13 HG23 ' A' ' 23' ' ' VAL . 13.4 mm -99.39 108.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.34 45.17 96.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 70.27 26.27 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -124.39 134.89 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ttt -76.01 117.63 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 12.8 m-85 -115.36 -61.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.61 149.17 20.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.58 HG23 ' HG2' ' A' ' 41' ' ' LYS . 21.5 m -125.54 132.22 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 111.17 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -115.01 135.1 12.06 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.452 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 69.4 p -125.51 134.36 52.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 110.867 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.43 149.33 15.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -42.94 -37.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -114.93 147.79 39.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 22.9 tttm -48.14 -60.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' GLU . 50.1 tp60 -43.86 -68.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 28.7 tt0 -37.13 -43.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -70.45 -68.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.492 ' HE3' ' CD2' ' A' ' 25' ' ' TYR . 55.8 tttt -35.06 -40.2 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.635 HE21 HG21 ' A' ' 9' ' ' ILE . 31.7 mt-30 -58.41 -70.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . 5.9 mt -43.96 -43.65 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -36.23 -38.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -73.21 -43.78 60.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 9' ' ' ILE . 16.5 mtpp -47.9 -38.3 16.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -81.0 -42.14 21.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.08 79.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 73' ' ' LEU . 65.5 t80 -50.13 -49.07 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.878 ' HA ' HD12 ' A' ' 73' ' ' LEU . 14.1 mm100 -55.84 -52.98 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -47.84 -47.24 31.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.4 mt -59.76 -52.51 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' A' ' 70' ' ' GLN . 19.7 mt -43.7 -39.78 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -81.68 -61.12 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -110.98 86.19 5.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.682 0.754 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 168.36 21.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.292 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.568 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.75 -173.91 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -131.72 107.11 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -113.25 -23.6 9.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 45.98 43.91 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -164.6 67.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.0 p -152.68 150.53 29.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' GLY . 58.6 p -68.11 120.34 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -35.0 120.91 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.41 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -147.36 111.8 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.9 t -91.91 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -73.94 136.12 43.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -53.5 -48.79 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.81 178.57 16.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -117.21 144.42 44.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -163.63 157.91 19.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.65 116.6 7.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.671 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -86.96 -31.02 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.917 -179.816 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.653 HG21 HE21 ' A' ' 62' ' ' GLN . 19.8 mm -34.26 -38.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.3 -28.51 11.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.455 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 8' ' ' TYR . 16.7 mt -43.87 -58.96 2.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' PHE . 40.5 t -47.27 -62.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 12' ' ' VAL . 56.9 m-20 -34.88 -35.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' VAL . 3.1 t -89.71 -37.58 14.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.0 t80 -57.02 -54.67 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.01 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -56.18 -50.27 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.94 -36.72 50.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' CB ' HD12 ' A' ' 21' ' ' LEU . 29.5 mttm -93.7 22.31 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 45.21 32.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 19' ' ' LYS . 11.6 mt -101.84 176.01 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.89 135.0 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.601 HG23 HD11 ' A' ' 44' ' ' ILE . 1.3 p -114.81 136.1 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -135.49 153.53 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -132.57 107.12 8.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 41' ' ' LYS . 4.9 pt-20 -96.42 158.3 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 28' ' ' CYS . 31.6 tt0 -124.1 150.04 45.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 6.3 p -43.82 155.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -78.21 156.15 79.2 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 31' ' ' ASN . 54.3 Cg_endo -69.7 2.91 3.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' PRO . 47.3 m-20 -34.32 125.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.0 t -66.34 97.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.53 123.32 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 75.1 mt -105.69 154.54 39.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.637 0.732 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.7 Cg_endo -69.74 -178.81 17.52 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.3 -0.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -135.42 114.7 12.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.02 169.12 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 57' ' ' LYS . 12.5 m-85 -81.56 116.67 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 18.6 mm -125.66 140.66 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.87 156.99 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -139.8 122.36 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 45.9 t -86.29 112.53 21.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.506 ' C ' HD12 ' A' ' 44' ' ' ILE . 42.8 mtpt -119.16 125.65 49.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.601 HD11 HG23 ' A' ' 23' ' ' VAL . 1.1 mp -104.89 108.85 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.63 52.46 48.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 4.5 mp0 61.05 25.19 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.3 m -123.94 123.62 40.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.4 ' CE ' ' HG2' ' A' ' 41' ' ' LYS . 3.0 ttt -77.26 121.22 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -112.98 -59.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.32 155.13 23.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.548 HG23 ' HG3' ' A' ' 41' ' ' LYS . 82.1 m -119.01 129.08 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.606 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -110.29 111.97 3.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.496 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.462 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -113.7 138.22 50.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.855 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.26 -169.87 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.8 -18.84 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.398 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' LYS . 4.0 m -131.2 132.51 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -34.37 -59.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -50.66 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -49.78 -55.24 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -51.6 -62.72 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 1.1 ttpm? -44.7 -52.93 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.653 HE21 HG21 ' A' ' 9' ' ' ILE . 31.6 mt-30 -42.55 -63.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ALA . 5.6 mt -50.94 -46.61 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 61' ' ' LYS . . . -36.31 -41.25 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' LYS . . . -66.13 -62.76 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ALA . 66.8 tttt -35.96 -36.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.65 -50.6 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.39 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.642 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 59.3 t80 -45.67 -54.52 7.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' LEU . 51.7 mm-40 -55.99 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -38.91 -39.77 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.452 ' CD2' ' HD3' ' A' ' 77' ' ' PRO . 9.9 mt -65.52 -42.26 92.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' GLN . 83.5 mt -62.29 -31.65 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -79.72 -65.72 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -124.81 86.16 56.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.68 0.752 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 169.87 17.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD3' ' CD2' ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.77 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 0.0 112.298 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -122.16 95.87 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.5 m -42.0 122.98 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.68 116.49 19.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.83 -119.12 4.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 83' ' ' SER . 82.4 p -99.34 164.15 12.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.809 0.338 . . . . 0.0 111.107 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' THR . 2.8 m -35.64 -62.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 85' ' ' PRO . . . 170.27 94.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HD2' ' HA2' ' A' ' 84' ' ' GLY . 53.2 Cg_endo -69.8 -43.72 2.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.9 p -89.28 162.95 15.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.4 p -128.81 42.24 3.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -87.7 106.58 18.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.817 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 p -72.45 169.54 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.33 88.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -110.98 98.4 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.807 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -41.99 -49.03 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.32 128.41 0.95 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.591 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -78.28 -30.58 48.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.701 HG21 HE21 ' A' ' 62' ' ' GLN . 19.3 mm -33.6 -41.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.088 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.76 -27.08 13.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.844 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 24.9 mt -44.51 -55.76 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' ASN . 56.3 t -54.65 -57.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' VAL . 16.1 m-80 -34.37 -64.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.5 m -65.7 -44.62 85.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 32.1 t80 -44.62 -69.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -34.74 -51.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -52.58 -52.91 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -38.75 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 21.2 mttm -91.42 18.17 7.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp 42.09 37.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.38 176.01 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.743 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.8 m -116.06 123.17 47.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 23' ' ' VAL . 2.7 p -113.03 126.11 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -123.67 155.27 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.47 105.45 8.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.29 139.43 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -118.15 151.78 36.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -47.67 153.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -89.73 153.7 47.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.655 0.741 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.37 5.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -163.36 132.18 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.5 m -71.17 88.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -155.44 153.97 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 9.4 mp -119.69 154.27 54.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.84 165.49 76.73 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.323 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.474 ' HA ' ' NE2' ' A' ' 36' ' ' GLN . 2.6 tp60 -117.56 93.19 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' HG3' HD11 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -127.63 173.8 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 9.8 m-85 -92.39 132.08 37.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' A' ' 37' ' ' ARG . 4.2 mp -134.17 116.72 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.459 ' H ' ' HB1' ' A' ' 60' ' ' ALA . 4.8 t -107.26 148.05 29.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.758 ' HG2' HG23 ' A' ' 51' ' ' THR . 30.9 mttp -132.49 113.76 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.81 112.2 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -123.22 127.88 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 22' ' ' SER . 6.6 mt -114.39 107.86 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.66 47.71 54.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 63.02 24.99 14.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 m -125.0 135.22 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.6 mtt -80.09 122.88 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -118.22 -24.65 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.61 155.02 24.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.758 HG23 ' HG2' ' A' ' 41' ' ' LYS . 9.4 m -142.06 106.96 4.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.173 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.36 146.07 18.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 p -138.71 122.58 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.47 168.24 34.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -58.83 -41.76 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LYS . 51.7 m -114.99 136.35 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 58' ' ' GLN . 25.7 tttm -38.1 -62.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' LYS . 48.5 tt0 -34.66 -44.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.19 -54.73 43.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' A' ' 40' ' ' CYS . . . -70.63 -60.83 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -41.56 -26.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.701 HE21 HG21 ' A' ' 9' ' ' ILE . 20.8 mt-30 -83.82 -67.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ALA . 8.2 mt -42.17 -47.3 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -34.85 -65.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -44.45 -55.92 4.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' ALA . 73.0 tttt -34.59 -59.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -36.97 77.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -63.56 -57.57 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.844 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 38.8 t80 -35.49 -64.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.746 ' HA ' HD12 ' A' ' 73' ' ' LEU . 23.6 mt-30 -50.73 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -41.91 -39.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.508 HD23 ' HD3' ' A' ' 77' ' ' PRO . 12.0 mt -67.4 -44.83 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 70' ' ' GLN . 7.1 mt -63.68 -34.6 78.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -80.68 -63.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.4 m -127.2 88.14 54.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.728 0.775 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 169.76 18.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HD3' HD23 ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.73 137.05 34.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -40.93 -64.97 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -86.28 131.37 34.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -113.33 82.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 137.65 111.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.3 m -65.08 146.27 55.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 111.17 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.9 t -119.71 122.02 40.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.68 164.22 13.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -1.73 8.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.6 p -104.9 147.13 28.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.1 m -59.47 162.99 4.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -94.58 125.37 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -88.24 120.97 30.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.92 -169.18 20.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.482 ' HB3' HD11 ' A' ' 11' ' ' LEU . 41.0 t -119.35 148.93 42.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -86.05 113.32 22.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.08 106.81 0.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.658 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -97.1 -29.5 13.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.792 0.33 . . . . 0.0 110.92 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 62' ' ' GLN . 17.6 mm -33.7 -39.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.84 -30.16 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.886 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 20.8 mt -44.97 -62.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.423 HG21 ' HB3' ' A' ' 68' ' ' ALA . 42.2 t -45.32 -57.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -39.65 -55.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' PHE . 65.2 m -66.82 -58.72 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CD2' HD13 ' A' ' 72' ' ' LEU . 4.9 t80 -34.43 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -37.09 -63.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -49.4 -49.9 42.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -54.82 -40.12 69.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 15' ' ' PHE . 11.4 mptt -93.19 19.78 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt 44.53 37.59 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.91 174.14 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -118.16 122.19 42.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.641 HG23 ' CD1' ' A' ' 44' ' ' ILE . 3.2 p -107.98 133.28 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -128.09 150.24 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.24 103.05 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -87.55 127.94 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -95.4 155.66 16.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.3 p -54.53 147.69 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -80.43 141.24 52.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.19 20.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -113.37 43.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -101.97 166.17 10.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 14.7 mp0 -60.96 107.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD23 ' HG2' ' A' ' 36' ' ' GLN . 14.7 mt -69.68 151.04 96.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.737 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.78 155.83 93.11 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.327 -0.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.544 ' HG2' HD23 ' A' ' 34' ' ' LEU . 6.3 pt20 -109.73 120.74 43.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.558 HH11 HD11 ' A' ' 39' ' ' ILE . 1.2 ptp85 -97.07 152.86 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CD2' ' N ' ' A' ' 57' ' ' LYS . 32.4 m-85 -64.11 123.31 18.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.558 HD11 HH11 ' A' ' 37' ' ' ARG . 74.4 mt -143.7 133.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.466 ' H ' ' HB1' ' A' ' 60' ' ' ALA . 4.4 t -129.14 123.31 31.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -105.73 131.34 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB1' ' A' ' 64' ' ' ALA . 2.0 p -99.28 110.36 22.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -109.53 136.52 48.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.641 ' CD1' HG23 ' A' ' 23' ' ' VAL . 8.2 mm -113.33 101.47 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.48 50.94 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 61.66 25.64 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.0 m -124.38 133.25 53.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ttt -71.52 114.21 9.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 5.1 m-85 -108.58 -62.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.23 160.22 24.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.0 m -140.8 113.55 8.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.69 146.27 16.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -144.98 127.9 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.99 -172.89 23.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 55' ' ' VAL . 5.3 m -74.04 -35.07 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 57' ' ' LYS . 37.3 m -114.77 155.53 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.426 ' N ' HG22 ' A' ' 56' ' ' THR . 0.6 OUTLIER -55.44 -57.42 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.63 -40.17 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -53.48 -53.15 55.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' HB1' ' H ' ' A' ' 40' ' ' CYS . . . -64.27 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.4 tttm -35.49 -49.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.492 ' O ' HD12 ' A' ' 9' ' ' ILE . 16.1 mt-30 -57.69 -67.79 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.9 mt -45.58 -50.69 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -33.97 -54.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -52.73 -46.87 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' LEU . 12.8 tttp -42.8 -56.5 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -60.57 -46.12 91.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.423 ' HB3' HG21 ' A' ' 12' ' ' VAL . . . -52.76 -50.45 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.886 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 24.3 t80 -47.79 -50.9 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.2 -42.39 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -56.39 -35.64 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.627 HD13 ' CD2' ' A' ' 15' ' ' PHE . 12.4 mt -70.9 -57.11 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.2 mt -44.69 -46.48 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -71.25 -45.75 62.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -132.29 86.16 46.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.7 0.762 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 169.86 18.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.291 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' HD3' HD22 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.71 -7.92 22.27 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -144.9 150.25 36.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 79' ' ' THR . 9.9 t -62.69 124.22 20.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.14 38.07 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 90.68 167.56 41.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -134.09 146.83 50.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 50.71 48.9 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.93 155.64 16.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.78 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -95.11 154.97 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.9 t -119.34 134.53 55.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -56.27 87.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 1' ' ' GLY . 6.0 m -153.35 171.58 18.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.56 -166.16 12.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.646 ' CB ' HD11 ' A' ' 11' ' ' LEU . 47.8 m -113.47 112.57 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -67.5 94.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.13 81.42 1.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.68 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -85.92 -28.7 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.362 . . . . 0.0 110.896 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 62' ' ' GLN . 15.9 mm -33.25 -43.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.39 -28.24 15.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.888 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 19.8 mt -44.74 -53.78 6.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' ASN . 75.1 t -53.05 -58.4 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 12' ' ' VAL . 13.2 m-80 -35.85 -66.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' PHE . 78.7 p -61.95 -54.94 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.526 ' CZ ' ' HE2' ' A' ' 19' ' ' LYS . 28.0 t80 -34.74 -63.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.37 -66.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -43.69 -53.35 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -52.3 -37.45 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 26.1 mttm -95.48 22.19 7.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 40.9 39.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.82 173.66 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -114.83 118.48 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.762 HG23 HD13 ' A' ' 44' ' ' ILE . 3.6 p -111.74 137.69 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -138.22 148.2 44.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.528 ' OH ' ' HB2' ' A' ' 65' ' ' ALA . 13.8 m-85 -126.49 109.04 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -93.89 153.33 18.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -123.5 114.97 20.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 t -121.25 153.19 37.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -108.1 147.79 36.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 144.82 55.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -38.52 -59.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 t -64.67 137.61 57.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' C ' HD22 ' A' ' 34' ' ' LEU . 8.0 mp0 -63.06 -59.45 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.547 HD22 ' C ' ' A' ' 33' ' ' GLU . 3.0 mm? -114.54 155.37 46.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.74 172.79 47.27 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.353 -0.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -78.11 108.57 11.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -124.16 120.71 33.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -89.34 116.66 27.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.78 126.09 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 14.5 p -119.61 162.93 18.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HG2' HG23 ' A' ' 51' ' ' THR . 18.7 mttp -142.11 120.79 12.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.626 ' SG ' ' HB1' ' A' ' 64' ' ' ALA . 1.8 p -93.3 109.74 21.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -108.85 139.15 44.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.762 HD13 HG23 ' A' ' 23' ' ' VAL . 12.1 mm -110.13 100.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 51.58 38.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.57 25.1 14.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.4 m -124.43 127.42 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ttm -67.0 116.04 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CD2' HG13 ' A' ' 44' ' ' ILE . 3.8 m-85 -110.24 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HG ' ' A' ' 42' ' ' CYS . . . -140.21 154.14 23.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 41' ' ' LYS . 78.0 m -128.85 125.16 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.42 148.87 16.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.0 p -145.27 117.4 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.98 -171.77 18.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.4 m -91.54 -23.43 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.5 m -122.57 136.42 54.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 8.7 mmmt -36.57 -63.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.2 tt0 -46.92 -60.61 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' GLN . 2.8 tp10 -36.13 -53.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -69.45 -63.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -41.32 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.522 ' O ' HD12 ' A' ' 9' ' ' ILE . 18.9 mt-30 -81.73 -63.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' ALA . 6.7 mt -48.11 -52.2 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.626 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -33.89 -53.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.528 ' HB2' ' OH ' ' A' ' 25' ' ' TYR . . . -53.05 -52.16 59.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' ALA . 17.6 tttp -37.89 -53.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -63.96 -48.2 77.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.06 -38.1 62.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.888 ' CZ ' HD13 ' A' ' 11' ' ' LEU . 51.8 t80 -65.69 -58.1 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -48.93 -39.64 27.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.65 -33.78 74.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 15' ' ' PHE . 12.2 mt -76.72 -35.31 57.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 69' ' ' TYR . 82.5 mt -64.18 -27.09 68.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 75' ' ' SER . 12.3 pttt -105.08 -28.08 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 2.9 m -134.68 86.98 32.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.7 0.762 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 169.88 17.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.473 ' HG3' ' CD ' ' A' ' 19' ' ' LYS . 53.5 Cg_endo -69.74 154.27 68.02 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.382 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.67 148.69 34.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.0 p -108.81 82.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.75 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.71 -111.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.447 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.2 m -107.56 139.5 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.154 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' GLY . 58.2 m -91.72 174.58 7.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -37.66 146.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.444 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -40.73 4.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.4 m 53.18 29.63 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.8 t -57.14 -47.67 80.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -69.29 80.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.389 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -59.33 109.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.15 -143.12 2.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -134.15 131.31 38.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -43.74 -47.62 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.13 -176.84 15.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.503 ' HA ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -91.87 -31.78 15.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 -179.782 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.665 HG21 ' CD ' ' A' ' 62' ' ' GLN . 28.8 mm -33.27 -42.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -94.26 -30.47 8.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.902 HD13 ' CZ ' ' A' ' 69' ' ' TYR . 14.7 mt -35.78 -53.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' ASN . 80.6 t -56.16 -59.19 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' VAL . 25.1 m-20 -34.28 -58.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.4 m -69.51 -42.44 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CD1' HD13 ' A' ' 72' ' ' LEU . 2.6 t80 -47.25 -70.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' PHE . . . -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -48.95 -47.25 44.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' PHE . 43.7 mtpt -54.61 -41.03 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -92.2 18.51 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.5 mttt 42.07 38.26 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 77' ' ' PRO . 8.2 mt -94.92 175.52 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -115.79 122.16 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.845 HG23 HD13 ' A' ' 44' ' ' ILE . 2.0 p -105.81 133.22 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -128.31 157.15 41.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CD2' ' HD2' ' A' ' 61' ' ' LYS . 50.8 m-85 -132.93 114.27 13.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -93.58 153.08 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -98.61 155.77 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.666 ' HB2' HD12 ' A' ' 39' ' ' ILE . 19.5 p -51.68 166.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -92.78 143.93 27.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -23.98 30.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -43.5 -68.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -71.13 142.44 50.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -106.43 -48.74 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.548 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 30.4 mt -111.4 151.65 43.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.708 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 34' ' ' LEU . 53.5 Cg_endo -69.77 169.35 63.82 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.351 -0.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -81.04 70.83 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.694 HH12 HD11 ' A' ' 39' ' ' ILE . 3.5 ptt85 -135.36 158.33 44.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -102.98 151.78 22.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.694 HD11 HH12 ' A' ' 37' ' ' ARG . 6.2 mt -127.14 149.62 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.02 109.88 8.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -95.01 108.14 20.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.5 t -82.66 112.95 20.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -114.72 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.845 HD13 HG23 ' A' ' 23' ' ' VAL . 6.7 mm -99.6 102.53 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.48 44.96 96.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 71.7 26.5 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -124.36 135.31 53.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.95 123.21 23.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 44' ' ' ILE . 8.0 m-85 -119.67 -61.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.75 154.51 25.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 t -130.69 161.3 31.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.583 ' O ' ' HB1' ' A' ' 60' ' ' ALA . . . -132.82 137.46 9.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -123.81 121.45 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.86 156.05 26.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.3 m -50.77 -24.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 m -125.53 147.9 49.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -49.21 -55.22 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -45.44 -51.55 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -47.63 -49.15 27.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.583 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -61.74 -57.98 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HD2' ' CD2' ' A' ' 25' ' ' TYR . 9.2 tptt -44.79 -35.58 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.665 ' CD ' HG21 ' A' ' 9' ' ' ILE . 7.2 mm100 -66.84 -72.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 65' ' ' ALA . 5.7 mt -44.37 -47.41 9.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -33.72 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . . . -81.89 -46.09 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LEU . 47.2 tttm -40.62 -43.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -78.81 -57.62 3.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.26 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.936 ' CE2' HD11 ' A' ' 73' ' ' LEU . 68.2 t80 -54.49 -54.13 45.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.838 ' HA ' HD12 ' A' ' 73' ' ' LEU . 21.1 mm100 -48.91 -56.6 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -41.92 -53.75 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' A' ' 15' ' ' PHE . 20.5 mt -53.8 -50.64 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.936 HD11 ' CE2' ' A' ' 69' ' ' TYR . 4.7 mt -58.73 -41.79 87.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -71.01 -71.65 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -123.04 86.15 51.03 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.676 0.751 . . . . 0.0 110.836 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.02 67.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.512 ' CG ' HD11 ' A' ' 21' ' ' LEU . 53.9 Cg_endo -69.76 -49.2 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -174.84 125.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.657 HG21 ' HA ' ' A' ' 83' ' ' SER . 12.2 t -112.0 150.99 29.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.56 -48.22 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.54 -67.43 2.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 82' ' ' THR . 9.0 t -159.94 123.25 3.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.122 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.657 ' HA ' HG21 ' A' ' 79' ' ' THR . 29.6 t -81.07 42.03 0.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.59 125.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 105.34 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.1 p -116.19 151.03 36.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.6 p -54.41 -44.22 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.516 -179.956 . . . . . . . . 0 0 . 1 stop_ save_