data_2eo1_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 2eo1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.845 0.355 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.7 t -93.91 -50.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE1' ' HB1' ' A' ' 85' ' ' ALA . 96.4 m-85 -96.86 -178.72 4.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB1' ' NE2' ' A' ' 15' ' ' GLN . . . -73.06 -178.4 2.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -14.88 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -99.71 29.42 4.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.465 ' NE2' ' HB2' ' A' ' 34' ' ' GLU . 4.7 mt-30 -106.42 138.48 19.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 166.12 28.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.58 -16.09 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 2.3 t-80 -153.17 111.53 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.485 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . 14.1 mtt180 -101.31 93.09 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 10.2 mp0 -72.29 107.34 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 22' ' ' GLN . 86.5 t -105.05 144.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.418 ' N ' HG12 ' A' ' 21' ' ' VAL . 32.1 tt0 -116.64 144.86 43.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.74 159.22 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -98.25 152.58 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.96 120.78 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.24 -6.86 81.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.97 176.79 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -112.62 107.27 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 167.75 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.2 m -156.05 111.42 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 7.4 mt -105.7 98.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -93.82 149.8 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -160.35 132.0 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.465 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 12.4 mt-10 -76.17 162.9 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.75 137.56 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.47 -22.45 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -145.93 140.67 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.43 -60.91 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -38.26 -35.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.4 m -57.74 141.74 47.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -104.23 153.93 20.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -128.19 156.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -139.44 116.86 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 68' ' ' LEU . 85.7 m95 -73.14 147.7 44.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 80.2 m-85 -139.02 117.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -98.78 115.19 28.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.89 31.05 20.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.36 24.07 57.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 126.82 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 39.9 tttt -56.08 112.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 81' ' ' TYR . 20.8 mt -76.85 140.44 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -118.89 141.92 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.8 p -72.03 110.17 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' LYS . 29.0 m -135.03 168.12 19.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -39.75 -27.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.5 ttmt -83.7 -63.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.46 137.66 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -126.93 121.11 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG23 ' CD1' ' A' ' 68' ' ' LEU . 99.1 t -89.61 94.87 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -89.67 138.38 31.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.02 90.05 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 m -96.91 103.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.77 -111.93 2.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.2 m -105.58 40.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.6 m -145.72 116.47 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -104.14 106.45 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -110.54 133.81 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 6.6 tp -111.91 110.39 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.72 120.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.8 t -111.18 99.58 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -71.24 146.36 49.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 55.19 49.7 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.88 101.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -122.54 172.18 15.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' GLY . 62.4 mm-40 -36.85 -46.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.29 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' GLY . 36.7 mm-40 -75.91 -29.45 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.02 130.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.72 -121.77 0.85 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.29 106.28 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CD2' HD13 ' A' ' 51' ' ' LEU . 18.4 m-85 -90.39 144.02 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 m -129.68 108.35 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.19 88.81 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HA ' ' CB ' ' A' ' 89' ' ' GLN . 13.5 tt0 -76.86 151.5 35.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.547 ' HB1' ' CE1' ' A' ' 11' ' ' PHE . . . -169.66 110.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.87 -91.99 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.41 4.84 4.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -127.91 165.11 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.465 ' CB ' ' HA ' ' A' ' 84' ' ' GLU . 5.1 pt20 -165.87 137.28 3.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -94.61 -175.2 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 28.9 t -126.67 155.6 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 91' ' ' SER . 79.4 m-85 -158.07 106.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -86.66 104.57 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.4 tp -87.63 105.33 17.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.5 t -111.64 126.01 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.875 0.369 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.15 -25.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.1 -175.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.98 -179.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -21.48 9.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -97.67 34.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -130.77 144.13 52.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 152.53 69.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.82 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.47 130.86 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -122.67 152.75 40.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -102.93 145.17 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -138.47 134.79 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -118.07 141.58 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.81 176.54 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -114.22 157.38 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.65 119.93 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.18 -13.14 67.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 173.05 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -110.87 102.4 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.06 170.82 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m -160.12 112.78 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 mt -105.62 96.8 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -90.33 150.77 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 p -160.43 124.91 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.74 161.92 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.29 148.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -144.36 136.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.4 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -42.45 -24.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.8 m -65.97 130.71 44.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -90.43 152.57 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.9 174.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 m -159.99 112.95 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.57 ' CD1' HD11 ' A' ' 68' ' ' LEU . 85.7 m95 -69.77 155.18 40.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.1 m-85 -145.34 124.67 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -103.01 120.02 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 44.38 40.99 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.6 36.66 53.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -134.55 117.5 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 72.2 tttt -52.8 120.8 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.522 HD13 ' CD2' ' A' ' 81' ' ' TYR . 15.6 mt -82.47 150.75 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 54' ' ' SER . 39.1 t -130.31 99.08 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.7 p -40.24 93.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' SER . 3.8 m -107.84 175.22 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -40.8 -29.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -81.09 -67.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.79 134.2 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -125.31 130.19 51.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.74 107.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.24 143.09 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.9 90.11 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' GLY . 2.3 m -104.85 179.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.39 104.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 58.0 m 34.29 54.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 85.0 mmt-85 -102.49 96.82 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -104.41 135.17 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 44' ' ' TRP . 6.5 tp -108.77 102.57 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.77 110.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.426 ' CG1' ' HG2' ' A' ' 77' ' ' GLU . 98.9 t -100.39 104.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.89 147.78 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 47.61 50.27 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.54 104.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.5 171.7 13.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' GLY . 94.1 mm-40 -36.87 -51.85 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.6 -56.26 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' HG2' ' CG1' ' A' ' 70' ' ' VAL . 25.4 mp0 -59.15 -26.82 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.91 120.66 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.77 -139.54 4.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -119.24 124.96 48.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.522 ' CD2' HD13 ' A' ' 51' ' ' LEU . 12.8 m-85 -114.36 127.25 55.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -116.24 111.56 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.8 t -84.09 98.09 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -87.27 131.33 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.84 -0.89 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.4 86.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.94 -39.86 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -107.03 158.26 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -162.63 134.43 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.0 mt -87.8 142.28 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.93 138.35 31.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -139.44 106.27 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -84.55 106.98 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 tp -93.84 125.55 38.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -114.37 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.4 t -129.57 154.6 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.446 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 59.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.882 0.372 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -108.01 -41.97 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -103.47 175.51 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.2 143.54 57.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.44 70.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.68 29.56 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 34' ' ' GLU . 26.1 mm-40 -80.65 137.89 51.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.13 3.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.74 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.577 ' HD1' ' N ' ' A' ' 19' ' ' ARG . 1.9 t-80 -144.02 127.07 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.577 ' N ' ' HD1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -117.85 97.75 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.6 102.23 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.28 154.1 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -131.93 161.28 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.8 162.26 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -100.76 152.5 20.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 119.35 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 -10.92 73.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.81 -176.42 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.6 p -122.56 103.22 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.73 176.44 5.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.8 m -159.69 110.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 mt -100.97 97.2 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -90.3 151.92 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.94 122.47 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.499 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 25.9 mt-10 -68.66 164.57 21.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.19 141.4 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -16.93 62.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -148.3 151.12 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.51 -59.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -42.58 -35.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.5 m -55.52 134.92 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -101.24 152.82 20.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 m -125.91 156.92 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 79.7 m -136.82 107.85 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.416 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.2 m95 -63.64 153.84 34.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -143.38 132.7 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -116.18 108.38 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 59.68 40.66 19.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.1 38.91 84.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -140.96 121.55 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -52.28 119.73 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.05 152.93 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -120.73 148.9 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 p -89.54 113.78 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -142.15 178.64 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -40.7 -38.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -71.45 -70.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.8 t -94.09 134.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -125.08 119.79 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -94.18 111.76 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -107.4 146.44 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.12 93.49 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.461 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 27.8 m -102.23 106.36 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.31 -106.58 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.9 m -112.15 39.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.461 ' HB ' ' CG2' ' A' ' 62' ' ' VAL . 3.7 m -139.04 114.99 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -105.43 102.31 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -108.0 148.22 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.416 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.3 tp -126.36 101.35 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.45 122.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.15 95.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -64.68 138.06 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 58.77 54.25 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.27 100.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.68 179.73 16.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -41.8 -37.35 1.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -54.83 22.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -64.63 -24.85 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.92 121.14 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.69 -144.79 6.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -121.94 110.43 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -97.78 126.53 43.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.7 m -115.95 111.59 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -80.21 92.96 5.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -79.79 154.36 28.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -168.42 116.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.45 -85.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.22 4.34 3.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 9' ' ' VAL . 48.1 mt-30 -123.98 163.1 22.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.733 0.301 . . . . 0.0 110.901 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -161.51 138.03 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -100.41 174.5 6.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.53 141.75 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -145.82 109.75 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -89.33 129.17 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.0 tp -113.97 115.5 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -105.33 141.78 36.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 69.9 t -109.62 134.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.867 0.365 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.1 t -94.33 -35.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.466 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 79.6 m-85 -100.48 -175.15 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -175.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.97 -16.94 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -101.88 28.93 5.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -122.94 146.4 48.41 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 159.92 51.66 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.54 71.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -143.21 127.7 17.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.465 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 82.3 mtt180 -107.46 155.27 20.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.74 115.85 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.27 136.8 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -119.53 141.89 48.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.31 173.85 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -107.37 166.76 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.34 116.31 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.67 66.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.73 169.13 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -104.06 102.03 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.69 174.53 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 m -160.66 114.15 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.14 97.51 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -91.65 152.52 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -160.28 125.49 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -72.8 163.66 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.28 167.14 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.78 -26.25 25.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.81 128.6 15.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.74 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -54.39 -22.53 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.9 m -78.3 151.05 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -109.58 155.45 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -129.28 155.03 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 m -132.88 115.07 14.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.565 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.0 m95 -70.71 149.19 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -143.54 113.9 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' LYS . 29.9 tttm -99.01 136.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 t70 40.15 32.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.49 38.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' LYS . 12.2 ptpt -129.7 139.2 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -71.48 106.95 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.67 159.62 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -139.75 130.82 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.1 t -64.48 104.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' VAL . 8.1 t -127.23 169.45 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -37.95 -34.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -77.43 -60.08 2.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.2 t -105.67 129.11 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -119.33 124.1 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 68' ' ' LEU . 90.5 t -93.49 100.59 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.19 139.75 30.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.82 85.29 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 m -90.83 -176.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.66 104.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.0 m 38.35 53.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -159.99 118.54 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -110.04 105.75 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -110.87 132.45 54.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 44' ' ' TRP . 4.7 tp -108.77 105.36 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 t -87.08 114.22 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.55 97.84 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -70.28 141.87 52.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 58.9 47.82 11.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.42 110.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.42 172.6 18.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 31.1 mm-40 -34.68 -57.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.84 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -64.21 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.56 123.37 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.4 -128.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.25 113.64 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -98.44 129.63 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -123.28 110.8 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.1 t -86.88 93.61 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -73.68 154.97 39.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HB1' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.97 110.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.88 -90.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.9 20.75 3.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -143.18 171.63 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -166.44 131.16 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.46 147.89 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.69 151.51 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 60.2 m-85 -152.56 111.65 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -87.72 121.82 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.44 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 37.1 tp -106.5 103.31 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.413 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 69.2 mt-30 -91.06 131.36 36.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.1 t -113.84 127.05 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.872 0.368 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.41 ' CG1' ' HB2' ' A' ' 85' ' ' ALA . 97.9 t -105.97 -46.52 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.405 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 49.7 m-85 -101.77 176.89 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' CB ' ' HG2' ' A' ' 15' ' ' GLN . . . -51.89 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -103.61 -18.52 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.88 21.39 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.458 HE22 ' N ' ' A' ' 34' ' ' GLU . 27.6 mm-40 -66.13 136.68 95.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 113.19 3.29 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.1 -38.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.476 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -157.48 117.66 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' N ' ' HD1' ' A' ' 18' ' ' HIS . 33.6 ttt180 -102.7 149.37 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -107.45 126.89 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.36 138.41 50.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -120.58 155.46 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.82 172.97 15.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -107.44 161.99 14.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.47 118.37 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -13.87 65.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.17 -175.72 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -120.46 106.14 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.86 176.8 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.6 m -161.05 107.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.5 98.28 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -89.65 158.64 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -170.89 131.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' N ' HE22 ' A' ' 15' ' ' GLN . 12.1 mt-10 -76.6 169.56 18.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -144.84 143.8 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.35 -18.02 47.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -150.5 151.4 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.77 -56.93 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -46.63 -27.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -57.85 150.51 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.34 149.05 38.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -129.67 152.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 69.6 m -131.7 109.8 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.561 ' CD1' HD13 ' A' ' 68' ' ' LEU . 87.8 m95 -64.36 153.88 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 91.4 m-85 -147.62 120.86 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -99.06 102.77 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t0 66.0 33.71 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.93 71.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -111.79 120.47 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.8 tttm -57.71 113.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 mt -78.05 150.42 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 t -126.68 138.33 53.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.7 p -68.4 130.31 42.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -158.98 171.27 20.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 m -43.33 -26.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -81.04 -68.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.02 139.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -128.24 121.19 28.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.49 95.45 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 7.8 mt-10 -88.35 135.6 33.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.67 102.36 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 30.5 m -112.77 108.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.6 -105.93 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.91 27.95 9.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.455 ' HB ' ' CG2' ' A' ' 62' ' ' VAL . 3.5 m -129.22 119.83 24.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.8 mmt-85 -112.02 106.24 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.432 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.6 ptm180 -109.95 145.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.561 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.6 tp -122.16 103.43 8.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -83.87 121.14 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 90.1 t -108.91 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -69.48 138.47 53.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 62.04 44.72 7.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.0 106.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -130.31 173.12 20.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 97.0 mm-40 -34.43 -53.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.63 -52.45 13.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.409 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 62.1 mm-40 -69.46 -32.41 71.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.78 127.84 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.78 -119.63 0.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -147.15 109.32 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.05 139.53 31.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 m -128.98 110.2 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.94 98.31 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.93 152.72 23.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB2' ' CG1' ' A' ' 10' ' ' VAL . . . -175.03 112.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.76 -94.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.24 12.49 3.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -135.8 169.71 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -166.93 135.4 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -92.71 176.1 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.6 141.77 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -143.94 105.17 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.17 119.62 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.1 tp -102.04 112.11 24.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -103.55 141.57 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.7 t -121.68 136.55 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.827 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.916 0.388 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.468 ' CG2' ' HA3' ' A' ' 86' ' ' GLY . 59.6 t -109.56 -35.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 32.3 m-85 -100.68 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.11 179.99 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.83 -20.68 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -96.29 30.22 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -124.82 139.82 34.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.55 0.691 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 140.83 43.7 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.46 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.94 127.08 37.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -111.96 139.74 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -96.67 131.94 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.2 140.93 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 23' ' ' ALA . 37.4 tt0 -120.62 156.26 32.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 22' ' ' GLN . . . -163.72 167.69 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -99.57 168.78 9.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.35 120.78 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 -5.16 69.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.18 -176.39 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -116.64 95.06 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.75 171.91 3.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.038 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.3 m -159.72 120.47 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -112.93 99.21 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -94.65 148.82 21.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.97 119.06 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -64.73 160.46 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -136.86 152.21 28.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.95 -15.62 60.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -152.19 126.15 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.19 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.2 -15.85 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -81.18 138.54 35.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.99 153.21 18.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.96 157.79 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.514 HG21 ' CE2' ' A' ' 45' ' ' TYR . 53.4 m -138.48 111.11 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -67.09 154.88 40.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE2' HG21 ' A' ' 43' ' ' THR . 76.6 m-85 -145.12 122.83 11.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -104.73 123.3 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 49.09 40.07 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.6 34.37 67.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -133.83 137.53 45.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -65.93 122.79 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.0 145.67 25.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.2 t -118.34 149.85 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 p -83.05 105.01 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -129.78 173.69 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.6 p -42.51 -27.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -82.12 -69.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 58' ' ' ARG . 45.6 t -92.42 138.65 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' HG13 ' A' ' 57' ' ' VAL . 20.2 ttm180 -129.21 119.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.6 t -92.1 99.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -91.91 142.71 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.54 101.71 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 63' ' ' GLY . 11.7 m -116.09 -176.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.95 102.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' GLY . 84.8 m 34.3 50.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -152.45 116.21 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -109.72 104.84 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -107.69 144.2 35.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 tp -120.41 101.27 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -82.5 114.59 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -102.31 102.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -72.91 143.5 47.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 54.58 52.64 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.22 106.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -122.55 174.38 16.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' GLY . 89.9 mm-40 -37.88 -50.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.67 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -63.91 -34.12 77.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.71 119.83 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.01 -130.34 1.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -136.59 116.46 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.32 130.34 47.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 m -117.04 110.43 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.3 t -83.37 86.94 6.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' OE1' ' CE2' ' A' ' 45' ' ' TYR . 24.7 tt0 -69.44 139.61 54.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.64 116.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 10' ' ' VAL . . . 62.96 42.17 99.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.84 -22.61 5.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -89.1 -179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.93 126.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.6 mt -96.71 134.08 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.93 146.42 28.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -148.1 105.68 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 130.96 35.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.4 tp -114.81 114.36 25.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 64.4 mt-30 -102.48 130.61 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.36 137.22 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.836 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.13 -37.97 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 27.4 m-85 -97.91 -176.02 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.16 176.77 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -21.71 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.61 39.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -130.9 142.48 45.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 154.46 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.22 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -143.52 131.23 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 41.5 mtt180 -112.95 158.1 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -111.42 124.56 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 22' ' ' GLN . 25.3 t -124.47 143.6 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.452 ' N ' HG13 ' A' ' 21' ' ' VAL . 13.4 pt20 -130.82 172.7 11.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' GLN . . . -174.65 179.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -111.43 153.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.55 118.84 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.58 -27.05 20.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 173.17 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -111.78 110.01 20.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.3 178.51 7.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.5 m -161.61 113.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.65 97.66 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -92.95 147.46 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.6 p -154.36 131.18 10.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.55 160.59 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.2 156.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.48 -19.67 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -138.03 174.24 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.9 -56.78 2.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -56.44 -14.62 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -72.04 129.12 37.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.86 155.65 16.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.3 m -129.1 155.14 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 74.6 m -131.84 103.58 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 83' ' ' CYS . 94.6 m95 -59.29 155.92 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.1 m-85 -148.87 113.95 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.508 ' HD2' ' CZ ' ' A' ' 81' ' ' TYR . 19.4 tttm -92.85 129.42 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 25.6 t70 40.64 37.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.1 36.83 44.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' LYS . 18.8 mtpt -133.28 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -68.49 122.2 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.51 157.05 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -132.58 122.15 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -59.95 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' SER . 18.9 m -119.45 164.64 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -35.85 -34.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 54' ' ' SER . 45.0 tttt -74.37 -58.42 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -109.23 134.22 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -124.18 132.17 53.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.8 t -93.41 92.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -87.38 135.92 33.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.13 89.71 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 m -95.65 115.54 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.75 -115.73 2.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.4 m -102.33 37.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 m -142.98 128.83 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -115.98 110.54 19.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -109.61 147.84 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.433 HD12 ' CD1' ' A' ' 44' ' ' TRP . 6.9 tp -123.62 101.36 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.95 118.05 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 75.4 t -106.82 99.52 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -71.65 142.56 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 57.48 48.88 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.0 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -117.03 173.0 14.49 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 9.2 mm-40 -34.34 -54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.68 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.451 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 9.1 mm-40 -56.58 -39.42 73.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.48 131.73 51.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.41 -138.15 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.444 ' CG ' ' HG3' ' A' ' 93' ' ' ARG . 34.3 mt-10 -131.43 108.67 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.508 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 23.0 m-85 -89.66 157.38 18.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.0 m -140.51 113.64 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 47.2 t -89.51 97.15 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.477 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.3 tt0 -79.47 149.45 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -171.66 111.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.83 -82.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.95 25.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -139.55 146.86 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.477 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 17.9 mt-30 -139.47 126.62 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 mt -101.68 133.78 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.15 134.12 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CE1' ' HD2' ' A' ' 19' ' ' ARG . 59.0 m-85 -135.03 90.17 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.444 ' HG3' ' CG ' ' A' ' 80' ' ' GLU . 2.8 ttt85 -72.71 129.63 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.1 tp -113.64 127.48 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 51.7 mt-30 -113.54 132.66 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.3 t -109.3 133.25 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.2 t -101.22 -36.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.23 168.22 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 15' ' ' GLN . . . -54.27 152.34 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -69.58 -34.13 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 23.41 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.471 ' HG2' ' CB ' ' A' ' 12' ' ' ALA . 23.2 mm-40 -72.9 138.55 79.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.559 0.695 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.85 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -154.13 112.25 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 4.6 mtp85 -86.7 167.2 14.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -131.58 102.4 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 22' ' ' GLN . 85.8 t -98.72 148.47 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.441 ' N ' HG13 ' A' ' 21' ' ' VAL . 45.4 tt0 -133.52 140.78 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.96 -179.71 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.36 152.09 36.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.77 117.03 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.44 -7.93 71.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -176.98 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 t -116.84 111.89 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.61 173.22 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -161.05 115.5 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.423 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 10.5 mt -109.59 97.41 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.5 t -90.39 150.62 21.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -160.77 125.12 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.451 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 20.8 mt-10 -69.66 167.0 17.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.31 132.83 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.53 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -140.72 142.9 34.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 -54.09 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -45.7 -33.0 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -59.76 137.53 58.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -97.71 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.87 155.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 94.3 m -137.29 109.5 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CD1' HD11 ' A' ' 68' ' ' LEU . 90.9 m95 -63.96 152.71 39.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 43' ' ' THR . 62.8 m-85 -142.19 115.94 9.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -98.97 112.89 24.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 t0 56.67 41.01 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.68 71.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -134.82 130.02 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -59.72 123.78 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.422 HD11 ' CD2' ' A' ' 81' ' ' TYR . 20.1 mt -91.23 146.05 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -121.56 142.89 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 109.58 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -134.21 166.41 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 m -43.64 -25.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -85.53 -51.8 6.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.9 t -111.43 132.61 59.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -123.75 121.81 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 68' ' ' LEU . 89.4 t -92.49 95.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -89.69 135.9 33.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.39 89.73 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -99.64 122.57 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.46 -107.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 82.8 m -111.65 45.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.0 m -149.81 112.97 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -104.81 101.49 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -104.81 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.533 HD11 ' CD1' ' A' ' 44' ' ' TRP . 6.2 tp -123.67 102.22 7.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.7 t -81.77 119.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.3 t -102.71 93.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -65.86 143.5 57.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 51.72 50.48 18.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.99 104.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.16 171.41 14.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.449 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -41.97 -36.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.929 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.54 77.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -19.18 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.11 130.17 40.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.04 -115.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -154.41 107.76 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' CD2' HD11 ' A' ' 51' ' ' LEU . 7.8 m-85 -94.54 135.21 36.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -124.63 117.28 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.05 93.98 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -80.61 152.96 28.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.09 107.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.08 -91.02 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.61 5.4 3.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -126.83 166.5 17.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -168.16 128.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.08 175.38 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.49 143.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -142.8 106.17 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -83.97 111.26 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.4 tp -96.7 113.67 25.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -99.59 148.11 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.2 t -127.5 127.0 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.3 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.844 0.354 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.8 t -115.14 -31.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -110.73 172.63 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 15' ' ' GLN . . . -63.51 144.47 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.86 35.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 29.0 mm-40 -87.75 133.15 38.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' ALA . 54.3 Cg_endo -69.7 109.0 2.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -35.39 -37.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.01 118.0 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -103.04 160.28 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -120.61 127.25 51.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.8 t -119.99 137.86 52.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -118.53 148.55 42.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.12 171.03 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' CD ' ' HB2' ' A' ' 97' ' ' ALA . 7.0 mm-40 -108.87 160.24 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 119.26 10.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.02 -13.14 65.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.15 -177.11 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -120.67 100.49 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.7 167.4 13.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.0 m -157.38 111.89 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -103.06 97.07 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -92.34 145.53 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -154.06 130.36 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.467 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 40.2 mt-10 -70.6 162.04 29.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.5 143.99 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.98 -27.57 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -141.24 136.23 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.85 -49.1 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.6 -28.48 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.4 m -64.86 143.85 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -104.79 146.34 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -123.77 151.78 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.7 m -132.03 119.96 21.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.565 ' CD1' HD12 ' A' ' 68' ' ' LEU . 87.9 m95 -74.59 156.68 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 78.1 m-85 -148.7 114.89 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -98.6 120.82 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 50.1 44.53 25.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.89 40.05 97.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -138.3 122.83 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 60.5 tttm -51.28 118.86 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 81' ' ' TYR . 28.7 mt -87.94 136.11 33.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' SER . 30.8 t -120.84 109.05 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.4 p -38.87 97.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.3 p -105.11 171.46 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.0 m -46.16 -22.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.27 -47.0 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -108.95 132.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -124.18 129.24 50.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -95.12 102.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.4 mp0 -90.5 156.41 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.6 107.4 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' GLY . 3.6 m -120.55 -176.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.21 104.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLY . 94.8 m 34.35 48.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -151.43 125.53 9.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 84.7 mmt-85 -119.1 114.94 23.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 9.2 ptm180 -118.51 142.29 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.565 HD12 ' CD1' ' A' ' 44' ' ' TRP . 5.7 tp -116.04 101.8 9.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.4 t -82.14 123.6 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.9 t -113.4 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -66.65 148.92 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 47.04 51.59 12.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 103.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.28 170.14 13.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' GLY . 41.1 mm-40 -37.37 -49.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.48 46.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.78 -27.77 69.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.9 122.49 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.38 -151.1 10.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -115.54 106.46 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.488 ' CD2' HD13 ' A' ' 51' ' ' LEU . 15.7 m-85 -93.52 133.45 36.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.7 m -117.86 124.03 47.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 97.01 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -83.75 157.04 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.66 111.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.3 -89.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.39 10.13 3.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -132.53 165.74 23.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -160.1 156.27 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.26 174.58 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.32 138.03 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -141.83 106.45 4.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -83.91 127.62 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 tp -111.82 106.66 15.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -98.78 135.93 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -116.56 127.1 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.41 ' HB2' ' CD ' ' A' ' 24' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.83 0.348 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -100.02 -41.26 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CD2' HD13 ' A' ' 90' ' ' LEU . 74.2 m-85 -105.15 -178.66 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 175.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.95 -20.26 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -99.27 31.76 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -127.54 143.22 46.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 146.59 61.15 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.26 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.46 128.41 37.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -113.24 143.49 44.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -93.14 142.23 27.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -135.28 148.28 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -134.79 153.48 52.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.18 170.73 21.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 126.29 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.64 -19.34 41.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 171.71 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -109.12 106.69 16.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.53 168.03 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.3 m -154.3 118.58 4.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.5 mt -108.83 96.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -91.62 146.27 23.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 27.3 p -154.89 134.92 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -80.98 160.82 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.81 160.26 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.44 -27.46 34.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -134.59 156.19 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.84 -63.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -45.11 -25.05 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.7 m -62.99 117.28 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.02 153.51 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.35 163.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.6 m -147.99 106.11 3.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CD1' HD13 ' A' ' 68' ' ' LEU . 88.2 m95 -60.3 153.93 21.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.0 m-85 -147.79 117.42 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 81' ' ' TYR . 39.6 tttp -98.65 133.59 42.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 41.1 40.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.32 39.69 87.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -138.3 142.77 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -68.09 118.97 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.75 159.23 21.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.2 t -121.07 152.79 38.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.9 p -98.21 83.63 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 55' ' ' SER . 2.1 t -112.71 168.43 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.1 m -34.68 -40.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.39 -64.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.21 134.02 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.65 124.23 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -89.85 98.95 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -95.1 143.06 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.72 92.21 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.0 m -97.58 109.19 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.6 -114.31 2.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.0 m -102.6 39.38 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.6 m -145.84 129.12 16.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 mmt-85 -115.36 112.92 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -110.86 145.66 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -122.6 103.06 8.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.7 119.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 95.6 t -109.0 100.35 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.43 147.77 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 49.63 46.09 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 112.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -125.77 -179.25 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' GLY . 15.4 mp0 -35.08 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.78 -49.28 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.462 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 26.5 mm-40 -60.02 -34.96 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.22 124.72 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' HA3' ' NZ ' ' A' ' 46' ' ' LYS . . . 169.28 -127.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -138.77 127.13 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 14.7 m-85 -108.9 137.29 47.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 45' ' ' TYR . 16.1 m -124.41 117.89 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.04 97.04 10.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.6 tt0 -85.43 127.43 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.44 10.4 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.46 78.78 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.96 -40.37 2.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' C ' ' HG3' ' A' ' 89' ' ' GLN . 27.5 mt-30 -94.42 140.94 29.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.478 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 24.2 mt-30 -146.56 123.85 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.539 HD13 ' CD2' ' A' ' 11' ' ' PHE . 22.4 mt -93.41 125.87 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.72 135.35 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 57.1 m-85 -134.97 95.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.43 ' NE ' ' HG3' ' A' ' 95' ' ' GLN . 1.7 tmm_? -72.4 122.49 21.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.9 tp -110.24 117.74 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.43 ' HG3' ' NE ' ' A' ' 93' ' ' ARG . 49.8 mt-30 -107.06 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 97' ' ' ALA . 95.1 t -109.54 138.21 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.4 ' N ' HG12 ' A' ' 96' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.909 0.385 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 85' ' ' ALA . 21.3 t -106.45 -33.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.72 165.03 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.28 169.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -25.45 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -95.17 32.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.474 ' NE2' ' HB2' ' A' ' 34' ' ' GLU . 30.7 mm-40 -88.67 137.46 30.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.68 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.36 -30.29 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 29.4 t-80 -147.37 105.21 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -101.36 93.86 5.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.56 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 13.7 mt-10 -75.98 111.35 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.5 t -106.06 133.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -106.34 152.66 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.21 176.68 12.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -113.44 151.72 31.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.32 116.04 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.03 -17.92 56.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.05 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 m -117.03 98.61 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 176.64 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -162.06 112.85 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -104.71 96.89 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -92.38 158.05 16.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 p -171.71 131.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.474 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 53.7 mt-10 -71.11 165.62 23.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 4.4 m -140.18 145.27 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.5 -19.28 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -153.73 141.88 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -71.94 -68.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' ALA . 8.4 tt0 -34.43 -43.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -41.91 133.46 2.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 147.11 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -124.99 167.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m -154.48 109.32 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -68.82 148.87 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.544 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 65.5 m-85 -137.65 124.87 21.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -104.03 124.05 48.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 43.66 41.36 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.78 38.5 56.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -136.41 132.58 35.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.9 tttt -61.61 115.91 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -81.49 147.25 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -126.21 147.72 49.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -78.78 74.41 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' SER . 3.4 p -87.93 167.94 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 6.0 t -37.51 -34.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -81.94 -61.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.52 129.63 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -128.4 114.69 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.49 108.47 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -100.54 138.25 37.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 97.1 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 63' ' ' GLY . 16.4 m -109.17 -175.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.51 102.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 89.5 m 33.77 46.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.403 ' HB ' ' CG2' ' A' ' 62' ' ' VAL . 3.0 m -147.07 118.82 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 75.1 mmt-85 -109.41 104.24 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -109.23 135.23 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tp -112.2 104.35 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.6 t -86.62 109.31 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.05 93.06 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.97 133.21 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.83 54.22 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.49 106.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.24 167.83 12.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' GLY . 68.4 mm-40 -34.88 -46.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.03 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.8 mm-40 -61.4 -39.74 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.08 128.7 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.71 -120.09 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -141.72 114.25 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -101.25 135.55 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -124.23 114.83 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.8 t -88.89 98.54 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -91.5 128.37 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' A' ' 10' ' ' VAL . . . -122.67 10.41 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 122.51 92.73 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.19 -41.11 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -108.19 149.49 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -161.89 126.35 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.7 mt -83.57 163.86 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.9 146.12 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -143.13 110.39 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -86.7 106.77 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.1 tp -95.42 126.28 40.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -120.07 134.43 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.6 t -107.64 133.29 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.845 0.355 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.2 t -104.37 -39.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -104.8 170.52 7.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.27 171.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -33.02 16.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -92.19 29.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' NE2' ' HB2' ' A' ' 34' ' ' GLU . 27.2 mm-40 -77.06 131.86 71.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 19' ' ' ARG . 53.9 Cg_endo -69.79 112.47 3.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.18 -29.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.713 ' HD1' ' N ' ' A' ' 19' ' ' ARG . 4.4 t-80 -147.08 139.83 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.713 ' N ' ' HD1' ' A' ' 18' ' ' HIS . 16.9 mtt-85 -126.7 90.25 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 2.0 mp0 -66.08 107.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.2 143.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -116.16 159.12 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.12 170.59 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -114.57 152.14 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.66 116.7 3.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -6.64 66.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.02 173.83 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.9 p -112.11 99.37 8.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.43 172.4 6.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.9 m -160.97 109.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 mt -102.71 97.13 7.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -92.9 151.85 19.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.3 p -158.86 132.68 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.456 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 32.3 mt-10 -70.1 159.88 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.1 131.43 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.42 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -149.9 136.38 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -72.88 -63.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 29.8 pt20 -35.59 -36.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.8 m -53.27 150.17 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -109.16 153.44 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.88 162.02 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.2 m -143.98 108.44 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.488 ' CG ' HD12 ' A' ' 68' ' ' LEU . 90.2 m95 -65.12 150.33 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 60.4 m-85 -140.07 116.98 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -92.83 127.09 38.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.28 42.88 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.26 36.58 70.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -138.33 131.01 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 57.4 tttt -58.48 120.02 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.91 175.35 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -151.72 126.55 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 94.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' SER . 24.2 p -110.7 167.45 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.9 m -36.02 -35.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 77' ' ' GLU . 26.0 ttmt -80.92 -65.63 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.29 131.63 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -126.28 121.96 34.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.02 103.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.07 138.78 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.87 90.5 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' GLY . 1.6 m -96.99 -179.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -36.04 107.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 42.7 m 34.09 47.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -153.52 121.07 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 72.9 mmt-85 -110.79 108.96 18.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -111.28 144.37 40.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.488 HD12 ' CG ' ' A' ' 44' ' ' TRP . 4.9 tp -118.47 98.31 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.6 t -80.91 115.97 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -105.59 102.07 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -71.1 146.55 49.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 48.62 50.86 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 102.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.73 171.62 13.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 74' ' ' GLY . 10.2 mm-40 -35.14 -53.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.87 -57.89 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.432 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 3.8 mm-40 -55.49 -38.95 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.16 132.44 38.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.71 -141.37 6.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.39 105.0 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -84.09 161.25 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' TYR . 20.3 m -143.55 110.49 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.0 t -86.96 94.79 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -81.85 155.31 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.62 110.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.88 -95.27 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.59 27.35 3.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -147.64 166.66 26.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -166.44 125.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 mt -95.43 154.0 17.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.525 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 29.2 t -97.1 155.65 16.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 91' ' ' SER . 47.0 m-85 -154.73 105.33 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -85.92 132.87 33.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.9 tp -116.02 114.69 24.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -99.94 144.84 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.51 134.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 69.6 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.893 0.378 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 15.4 t -107.99 -30.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 85.6 m-85 -114.91 162.39 16.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -48.44 166.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -21.44 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.6 46.16 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.52 142.26 28.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 146.65 60.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.1 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -149.41 117.85 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' N ' ' HD1' ' A' ' 18' ' ' HIS . 34.4 mtt-85 -97.26 149.84 21.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -112.5 103.2 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 93' ' ' ARG . 97.0 t -93.29 137.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.47 141.08 52.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.85 -175.84 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -120.57 157.37 29.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 117.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -30.0 11.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.5 -176.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -129.04 102.47 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.41 ' CB ' HD13 ' A' ' 94' ' ' LEU . . . -74.55 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -154.07 108.23 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -95.9 98.18 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -89.02 159.54 17.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -173.12 134.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.12 171.7 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.49 141.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.72 -15.34 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -158.52 138.59 12.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.87 -53.7 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -42.2 -30.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -63.67 131.83 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.16 149.05 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.11 174.49 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.432 HG23 ' CZ ' ' A' ' 45' ' ' TYR . 88.9 m -161.24 105.7 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 68' ' ' LEU . 79.3 m95 -64.24 149.67 47.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 55.9 m-85 -138.62 121.16 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -105.3 120.93 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 47.63 44.99 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.08 40.84 97.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -139.76 121.3 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 30.0 ttmt -54.23 105.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 81' ' ' TYR . 27.2 mt -66.31 142.43 57.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -113.47 129.0 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 p -67.47 96.36 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -126.53 170.61 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -37.84 -36.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -70.03 -62.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.0 t -106.07 131.23 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttm-85 -118.62 115.84 25.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.5 t -83.64 93.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 18.2 mm-40 -85.89 136.27 33.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.91 100.23 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' GLY . 6.1 m -113.07 -179.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.81 108.93 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 63' ' ' GLY . 15.8 p 33.61 47.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.391 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -153.49 121.64 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 78.5 mmt-85 -117.36 108.16 15.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.9 ptm180 -111.15 143.12 42.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 5.8 tp -118.88 103.84 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.1 t -83.15 117.37 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.3 t -102.7 92.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -65.97 140.9 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 57.27 49.42 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.96 100.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.49 173.43 14.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -38.11 -54.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.18 -42.94 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.37 -33.91 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.71 121.07 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.23 -137.52 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.433 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -128.87 105.11 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.428 ' CD2' HD13 ' A' ' 51' ' ' LEU . 9.3 m-85 -91.88 126.14 36.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.422 ' HB3' ' CD ' ' A' ' 89' ' ' GLN . 25.5 m -116.34 125.67 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.1 t -96.08 102.09 13.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -93.87 134.91 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.432 ' HB3' ' CG1' ' A' ' 10' ' ' VAL . . . -131.84 -0.67 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.67 83.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.58 -38.24 2.29 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -103.73 154.7 19.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -171.43 137.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.97 168.85 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.03 136.38 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -133.61 88.11 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' VAL . 11.2 tpp85 -65.76 115.4 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD13 ' CB ' ' A' ' 29' ' ' ALA . 42.2 tp -101.09 115.18 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -105.25 146.58 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.8 t -124.57 131.29 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 56.1 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.464 HG12 ' CB ' ' A' ' 85' ' ' ALA . 97.8 t -97.31 -40.49 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 47.2 m-85 -104.99 163.17 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.469 ' HB1' ' NE2' ' A' ' 15' ' ' GLN . . . -50.21 175.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -17.91 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -99.01 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.469 ' NE2' ' HB1' ' A' ' 12' ' ' ALA . 13.6 mt-30 -121.47 134.85 24.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.554 0.692 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' HIS . 53.8 Cg_endo -69.77 128.43 16.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.06 -25.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -160.01 121.77 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -103.37 144.44 31.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.58 134.75 45.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.7 t -131.97 133.57 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -117.67 148.86 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.09 174.8 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -106.41 156.6 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 120.03 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.64 -13.83 66.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.46 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -117.51 109.4 16.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.9 176.85 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -164.79 105.47 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.85 97.4 9.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -92.25 153.77 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.9 p -163.89 131.09 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 23.5 mt-10 -71.62 158.72 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.58 131.83 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.85 -22.74 10.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -145.59 141.86 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -39.27 -35.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -54.85 138.44 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -103.14 149.57 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -125.06 164.25 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -148.55 107.52 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.553 ' CD1' HD11 ' A' ' 68' ' ' LEU . 82.8 m95 -65.32 154.18 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 70.8 m-85 -144.02 116.8 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -99.94 118.72 36.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 52.01 38.7 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.59 37.39 68.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -140.62 112.24 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 10.7 ttpt -44.23 127.65 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 81' ' ' TYR . 34.1 mt -86.87 145.08 26.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.5 t -117.57 126.05 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 t -65.35 89.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.9 m -113.54 172.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t -40.23 -29.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -81.66 -62.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' SER . 31.2 t -103.1 135.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -130.04 124.87 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 68' ' ' LEU . 61.0 t -91.91 95.07 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -89.34 134.69 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.37 95.81 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 m -98.15 103.43 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.58 -110.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.1 m -107.41 39.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -143.78 116.87 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -103.73 116.69 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' NH2' HG22 ' A' ' 69' ' ' VAL . 7.6 ptm180 -119.42 144.7 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -118.9 99.12 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.406 HG22 ' NH2' ' A' ' 67' ' ' ARG . 52.3 t -80.19 116.26 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -105.1 97.19 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -70.5 142.47 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 57.71 49.24 12.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.16 100.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.89 172.52 14.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' GLY . 74.5 mm-40 -34.75 -55.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.69 -53.04 34.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -58.11 -38.69 76.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.13 120.86 9.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.34 -129.57 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -135.84 109.81 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.485 ' CD2' HD13 ' A' ' 51' ' ' LEU . 11.6 m-85 -95.53 126.14 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 110.51 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.54 94.65 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.475 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.8 tt0 -82.14 142.5 32.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.51 110.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.02 -80.52 0.95 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.81 16.67 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -130.85 156.04 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.475 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 35.6 mt-30 -145.61 131.69 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -106.69 123.55 48.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.24 133.84 38.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -132.1 96.36 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -72.14 118.9 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.1 tp -110.16 108.49 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -100.25 146.72 26.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.3 t -117.46 140.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.2 t -105.96 -33.48 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.8 166.46 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.428 ' HB1' ' CG ' ' A' ' 15' ' ' GLN . . . -54.54 -179.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -102.31 -34.55 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.75 49.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.428 ' CG ' ' HB1' ' A' ' 12' ' ' ALA . 12.1 mt-30 -119.26 139.63 27.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.08 9.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.55 -26.31 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.37 124.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.559 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 4.7 ptm180 -115.83 163.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -126.08 103.18 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.85 151.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -114.9 161.46 18.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.26 162.11 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -104.61 153.84 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.72 114.84 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.44 61.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.6 -175.17 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -123.03 105.93 10.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 173.95 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -159.27 106.68 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 mt -103.97 102.54 12.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -103.62 160.65 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.0 p -168.28 136.53 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.64 162.62 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.9 145.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -19.09 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -147.36 139.68 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -77.17 -62.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ALA . 23.2 pt20 -36.91 -39.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.5 m -48.5 147.02 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -107.9 158.4 17.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 HG11 ' CB ' ' A' ' 85' ' ' ALA . 2.7 m -138.25 163.04 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.3 m -147.61 113.94 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.57 ' CD1' HD13 ' A' ' 68' ' ' LEU . 89.5 m95 -69.53 149.99 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 97.4 m-85 -143.46 120.39 11.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -98.34 104.77 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t0 66.36 30.44 8.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.11 71.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 10.1 mptt -107.66 131.85 53.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 61.4 tttm -66.86 109.39 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.437 HD12 ' CD2' ' A' ' 81' ' ' TYR . 12.3 mt -73.39 151.06 41.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -125.11 119.75 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.9 p -55.09 100.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.3 t -132.21 168.42 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' SER . 54.2 m -34.5 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -61.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' CG1' HD12 ' A' ' 68' ' ' LEU . 71.1 t -108.3 132.73 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -116.73 119.56 35.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 68' ' ' LEU . 98.9 t -91.18 101.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -102.7 140.86 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.31 88.45 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.2 m -94.14 109.36 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.97 -108.22 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.4 p -111.35 35.33 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.3 m -139.13 109.7 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -99.61 103.85 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -105.38 144.18 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.0 tp -124.77 106.49 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.4 t -86.14 123.1 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.7 t -109.13 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -68.54 147.12 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 50.21 54.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.96 101.24 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -124.58 179.26 16.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 38.9 mm-40 -35.53 -53.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.23 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -63.12 -34.71 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.69 120.89 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.43 -134.4 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -134.78 98.98 4.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CD2' HD12 ' A' ' 51' ' ' LEU . 60.8 m-85 -84.31 133.54 34.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.3 m -124.42 111.27 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 42.7 t -84.28 92.37 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -75.27 151.44 38.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.425 ' CB ' HG11 ' A' ' 42' ' ' VAL . . . -171.08 106.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.01 -87.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.05 4.32 2.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -124.86 168.03 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -171.0 131.61 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.4 mt -94.51 155.63 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.28 147.02 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CE2' ' HD3' ' A' ' 19' ' ' ARG . 48.5 m-85 -141.53 105.26 4.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -88.52 94.06 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -81.81 126.55 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -113.17 132.92 55.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.2 t -104.18 124.69 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.874 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -117.57 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -103.07 178.14 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.94 174.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -18.95 12.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -105.72 36.67 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.47 146.49 56.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.18 59.22 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.36 87.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 1.2 t60 -144.36 123.22 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.493 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mtp-105 -106.97 174.39 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -124.65 101.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.13 138.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.75 173.48 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.98 -179.44 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -107.89 167.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.47 117.66 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.16 -17.46 57.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.53 171.05 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -108.63 102.92 11.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.22 177.81 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.6 m -161.68 109.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.04 96.19 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.5 t -91.86 148.72 22.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 26.9 p -156.35 134.48 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.89 162.08 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -136.85 163.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.55 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -150.25 131.8 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -64.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.0 pt20 -35.96 -39.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -53.24 147.72 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.6 156.11 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 m -133.51 156.11 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 109.36 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CG ' HD13 ' A' ' 68' ' ' LEU . 84.5 m95 -64.08 155.87 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.2 m-85 -149.66 112.94 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.79 121.88 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 47.66 41.96 14.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.62 37.37 84.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -138.05 117.93 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 34.9 ttmt -44.12 127.57 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.448 HD12 ' CE2' ' A' ' 81' ' ' TYR . 15.4 mt -94.81 137.1 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -119.14 118.92 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 82.9 p -58.8 85.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.5 m -100.82 172.21 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 30.3 t -37.16 -39.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 7.5 mtpm? -68.65 -64.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.99 133.18 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -128.65 109.91 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.411 ' HB ' ' CD1' ' A' ' 68' ' ' LEU . 7.1 p -85.47 121.41 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -107.57 157.56 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.23 115.54 15.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 63' ' ' GLY . 16.3 m -128.26 -174.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' VAL . . . -32.26 98.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' GLY . 74.0 m 34.09 50.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.9 m -151.71 116.09 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.74 109.99 22.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -108.33 150.89 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.431 HD13 ' CG ' ' A' ' 44' ' ' TRP . 3.8 tp -125.24 96.42 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.2 103.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.4 t -95.01 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 21.7 mm-40 -74.71 150.66 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 49.16 43.86 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.71 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -123.23 176.82 16.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 74' ' ' GLY . 14.4 mp0 -33.78 -61.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.31 -39.03 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.39 120.18 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.92 -144.09 6.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -119.82 99.58 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.448 ' CE2' HD12 ' A' ' 51' ' ' LEU . 57.4 m-85 -83.72 128.31 34.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.8 m -120.6 112.8 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.35 93.14 9.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.82 150.98 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -168.08 105.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.75 -89.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.04 25.99 3.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -142.97 173.3 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -169.76 138.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.3 mt -107.52 135.75 48.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.39 134.92 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 52.1 m-85 -134.64 91.01 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -72.78 103.55 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.54 121.09 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -103.37 154.1 19.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.429 HG11 ' N ' ' A' ' 97' ' ' ALA . 95.7 t -130.22 142.94 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.429 ' N ' HG11 ' A' ' 96' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 89.7 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.4 t -91.72 -39.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 92.9 m-85 -112.88 154.65 26.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.89 172.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -23.82 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -94.93 35.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' A' ' 34' ' ' GLU . 33.8 mm-40 -90.89 130.87 39.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.81 -33.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -162.97 118.32 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.425 ' N ' ' HD1' ' A' ' 18' ' ' HIS . 50.7 ttt180 -103.88 149.13 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.33 123.94 49.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.02 131.42 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -116.53 143.86 45.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.16 179.51 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -112.08 156.86 21.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.7 121.28 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.03 -12.18 70.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 174.69 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -114.1 103.76 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.96 173.55 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.0 m -158.25 110.64 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -100.58 97.05 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -94.09 152.95 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -160.71 138.55 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.455 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 38.5 mt-10 -77.31 162.43 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 6.2 m -139.54 153.43 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.11 -24.23 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -144.06 146.41 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.07 -57.11 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -44.16 -25.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.5 m -67.22 140.86 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -108.22 155.45 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -131.27 161.31 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.491 HG23 ' CZ ' ' A' ' 45' ' ' TYR . 86.4 m -139.69 107.87 5.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.487 ' CG ' HD13 ' A' ' 68' ' ' LEU . 80.1 m95 -64.69 146.49 54.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.541 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 61.6 m-85 -136.64 115.53 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 49' ' ' LYS . 7.7 tttm -97.6 131.6 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.3 t70 39.57 39.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.01 39.07 74.36 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LYS . 40.3 mttm -137.59 123.76 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 88.5 tttt -52.61 121.66 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.457 HD12 ' CD2' ' A' ' 81' ' ' TYR . 17.7 mt -86.96 145.55 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 t -130.95 114.44 15.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 p -52.68 108.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' VAL . 2.7 m -126.95 178.98 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -47.79 -21.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -89.82 -50.14 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' SER . 87.3 t -114.3 135.43 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -130.55 112.58 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 68' ' ' LEU . 7.5 p -95.65 109.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.33 152.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.27 89.72 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 m -98.4 110.09 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.03 -112.97 1.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 m -106.79 42.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.2 m -145.12 121.71 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -111.44 112.79 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -112.73 143.02 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.487 HD13 ' CG ' ' A' ' 44' ' ' TRP . 4.6 tp -119.67 98.15 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.4 111.81 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.433 ' CG1' ' OE1' ' A' ' 77' ' ' GLU . 80.0 t -103.42 104.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.31 147.78 47.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 50.26 52.09 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 98.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.65 173.9 14.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.457 ' NE2' ' H ' ' A' ' 75' ' ' GLN . 2.2 mp0 -34.29 -65.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.48 -46.21 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' OE1' ' CG1' ' A' ' 70' ' ' VAL . 6.4 mt-10 -68.69 -30.36 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' GLN . . . -69.51 123.96 22.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.87 -127.66 1.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.4 107.03 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CD2' HD12 ' A' ' 51' ' ' LEU . 17.8 m-85 -91.3 134.51 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.0 m -121.25 113.25 19.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.94 91.11 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.76 152.69 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -173.96 111.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.49 -88.58 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 5.8 2.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.439 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -128.06 166.36 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.496 ' C ' ' CD ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -163.52 155.07 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -122.71 147.69 46.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.48 136.63 33.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.18 90.37 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.06 120.03 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.9 tp -109.41 114.52 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.53 153.53 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.01 126.66 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -106.22 -38.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -97.65 -176.23 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -177.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -16.71 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -106.45 36.43 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -128.0 142.37 44.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.44 23.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.72 -46.33 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.26 125.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.69 155.69 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -105.3 136.73 44.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -130.68 130.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -114.22 151.9 32.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.63 171.45 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -109.15 152.24 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 122.03 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.83 -18.91 56.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.44 169.79 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -108.21 100.94 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.15 166.36 21.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.2 m -151.83 109.0 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.6 96.73 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 t -89.48 149.57 22.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -157.24 133.88 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.75 162.03 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.71 157.26 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.44 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.87 148.34 41.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.33 -63.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 40' ' ' THR . 10.5 pt20 -40.87 -39.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 53.2 m -48.88 131.95 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -97.44 144.94 26.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.7 172.01 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.8 m -155.28 110.95 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.554 ' CD1' HD12 ' A' ' 68' ' ' LEU . 79.4 m95 -67.94 148.62 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 62.2 m-85 -139.07 118.38 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' LYS . 39.5 tttt -100.13 135.2 41.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 39.55 31.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 35.24 33.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' LYS . 37.0 pttt -130.81 140.23 50.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 32.0 tttp -67.73 108.98 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.44 168.66 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -157.83 131.61 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -55.75 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.6 p -98.97 177.3 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.1 t -47.11 -22.55 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.19 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.55 137.82 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ttm-85 -126.65 113.64 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.0 t -88.78 100.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -92.05 137.06 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 98.39 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.29 112.01 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.5 -115.79 4.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.3 42.88 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -144.56 131.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -125.2 105.42 9.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -109.08 142.44 39.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 44' ' ' TRP . 4.7 tp -116.0 105.39 12.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.1 108.6 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.8 t -98.19 101.47 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -69.9 145.71 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 53.58 47.65 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.04 104.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.67 178.49 16.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.48 -51.44 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.28 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -39.86 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.21 121.14 7.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.56 -142.28 4.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -122.45 109.91 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -99.06 126.9 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -116.73 124.04 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.6 t -95.97 97.75 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.481 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 3.1 tt0 -84.19 132.38 34.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.7 2.78 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.43 -98.09 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -103.56 17.16 51.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -149.21 154.64 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.481 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 29.5 mt-30 -146.94 123.0 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 39.6 mt -88.78 133.13 34.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.02 134.62 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -134.55 89.6 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -70.49 115.85 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.01 118.11 36.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -107.46 137.38 45.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 97' ' ' ALA . 92.9 t -111.17 139.17 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.423 ' N ' HG13 ' A' ' 96' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -107.06 -32.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -114.08 -177.22 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.83 -175.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -116.43 -32.21 5.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -90.01 36.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -129.67 142.41 45.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.65 67.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.48 127.65 24.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -118.38 147.31 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.76 138.25 33.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -130.14 134.72 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -117.54 153.2 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.44 171.42 20.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -107.73 154.96 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 122.4 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.63 -10.94 73.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.17 172.39 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.2 p -109.44 98.47 7.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.14 165.87 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.5 m -152.45 106.41 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.63 96.54 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -90.48 149.86 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 p -160.13 129.17 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -77.34 164.18 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.52 174.76 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -25.62 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -149.56 123.07 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.88 -26.56 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -67.21 146.71 53.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 2.6 mp0 -102.08 162.59 12.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 m -138.9 172.33 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -158.68 106.99 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CD1' HD12 ' A' ' 68' ' ' LEU . 86.1 m95 -64.52 155.95 31.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -146.75 117.92 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -101.32 118.53 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 48.74 43.41 20.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 37.84 86.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -135.28 124.55 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -56.54 112.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 81' ' ' TYR . 24.2 mt -76.2 145.02 40.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.5 t -118.51 146.96 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.807 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -84.09 87.32 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -111.29 170.82 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 t -39.42 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.9 tppt? -80.89 -62.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 58' ' ' ARG . 60.5 t -104.1 137.35 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.44 ' N ' HG12 ' A' ' 57' ' ' VAL . 41.6 ttm-85 -133.03 128.0 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 68' ' ' LEU . 91.4 t -90.91 99.51 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.6 mp0 -92.95 140.17 29.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.24 93.0 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' GLY . 0.5 OUTLIER -102.89 -175.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.3 100.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' GLY . 71.8 m 34.33 52.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -157.2 111.75 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.4 mmt-85 -101.47 108.74 20.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 25.1 ptt180 -110.62 145.1 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 44' ' ' TRP . 7.2 tp -118.66 107.74 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -89.45 113.58 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.7 t -105.51 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.81 138.2 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 61.02 44.58 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.13 99.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -114.73 176.13 16.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 74' ' ' GLY . 7.8 mp0 -34.47 -66.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.67 -54.69 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.58 -41.05 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.0 122.08 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.41 -126.29 1.01 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -136.22 110.75 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 51' ' ' LEU . 6.8 m-85 -96.78 133.73 40.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.6 m -125.16 108.93 12.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.1 t -83.72 94.97 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.6 132.76 33.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.48 12.44 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 122.38 91.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.52 -40.78 2.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -107.15 158.58 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -165.13 124.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.82 143.34 31.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.49 134.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -134.18 97.29 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -75.66 115.74 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -100.11 123.25 44.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -115.95 140.34 49.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.8 t -114.74 147.26 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.852 0.358 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.2 t -98.68 -41.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.517 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 63.5 m-85 -106.23 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' O ' ' CG ' ' A' ' 15' ' ' GLN . . . -68.37 144.11 54.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -28.81 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.68 31.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 31.3 mm-40 -87.44 136.45 33.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.81 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -167.91 119.03 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.521 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 12.7 mtp180 -99.47 162.7 12.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -124.41 105.01 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.42 142.16 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.82 146.47 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.86 -179.79 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -109.69 165.61 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 116.47 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.23 -13.27 68.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.68 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.3 p -122.0 96.76 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.76 171.12 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.4 m -160.56 110.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.16 99.09 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 t -91.95 153.75 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -163.98 134.19 4.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.84 162.24 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.13 143.06 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.91 41.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -151.36 130.44 12.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.22 16.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -58.74 -15.42 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 m -71.82 150.57 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.01 160.99 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 m -138.22 169.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 88.6 m -151.95 108.55 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.522 ' CD1' HD13 ' A' ' 68' ' ' LEU . 75.2 m95 -67.28 151.33 47.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 50' ' ' LYS . 96.3 m-85 -142.74 121.36 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -94.58 106.04 18.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 t70 62.52 28.63 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.54 64.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -102.82 128.76 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . 13.3 ttmm -61.93 107.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 81' ' ' TYR . 29.1 mt -75.78 142.08 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -118.56 138.73 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -72.28 103.01 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' VAL . 6.0 t -126.76 172.53 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -36.8 -38.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -77.6 -68.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . 26.1 t -90.47 129.99 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -125.71 124.75 41.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.425 HG23 ' CD1' ' A' ' 68' ' ' LEU . 88.1 t -91.13 96.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -88.6 136.54 32.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.16 90.02 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.7 -176.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -40.22 106.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 1.5 p 34.45 54.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 m -159.78 114.38 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -107.65 102.48 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -108.45 131.57 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.522 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.9 tp -108.75 101.15 10.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.71 121.1 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -107.13 95.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -67.66 137.44 55.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 60.45 54.2 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.58 110.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.35 169.58 18.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' GLY . 6.8 mm-40 -37.43 -41.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.979 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.66 -52.63 64.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -67.13 -32.01 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.453 ' CB ' HG22 ' A' ' 96' ' ' VAL . . . -57.86 125.53 23.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.27 -131.29 1.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -132.7 116.17 16.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.446 ' CD2' HD11 ' A' ' 51' ' ' LEU . 4.8 m-85 -102.29 139.11 38.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 m -126.75 118.24 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.75 91.84 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.72 153.89 28.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.517 ' HB1' ' CZ ' ' A' ' 11' ' ' PHE . . . -174.61 138.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.75 -87.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -143.63 11.29 2.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -131.05 173.06 11.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -163.86 141.74 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.8 176.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -119.11 149.21 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 91' ' ' SER . 65.4 m-85 -154.27 105.43 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -82.36 127.84 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.3 tp -113.15 120.15 40.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -107.8 154.41 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.453 HG22 ' CB ' ' A' ' 78' ' ' ALA . 89.0 t -133.21 138.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -102.66 118.44 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -158.35 157.64 32.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.85 120.62 2.43 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -64.05 166.42 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 p -140.35 171.0 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.72 73.86 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -107.63 119.47 39.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.7 t -110.75 125.82 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.7 t -93.91 -50.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE1' ' HB1' ' A' ' 85' ' ' ALA . 96.4 m-85 -96.86 -178.72 4.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB1' ' NE2' ' A' ' 15' ' ' GLN . . . -73.06 -178.4 2.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -14.88 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -99.71 29.42 4.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.465 ' NE2' ' HB2' ' A' ' 34' ' ' GLU . 4.7 mt-30 -106.42 138.48 19.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 166.12 28.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.58 -16.09 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 2.3 t-80 -153.17 111.53 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.485 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . 14.1 mtt180 -101.31 93.09 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 10.2 mp0 -72.29 107.34 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 22' ' ' GLN . 86.5 t -105.05 144.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.418 ' N ' HG12 ' A' ' 21' ' ' VAL . 32.1 tt0 -116.64 144.86 43.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.74 159.22 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -98.25 152.58 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.96 120.78 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.24 -6.86 81.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.97 176.79 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -112.62 107.27 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 167.75 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.2 m -156.05 111.42 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 7.4 mt -105.7 98.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -93.82 149.8 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -160.35 132.0 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 12.4 mt-10 -76.17 162.9 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.75 137.56 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.47 -22.45 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -145.93 140.67 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.43 -60.91 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -38.26 -35.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.4 m -57.74 141.74 47.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -104.23 153.93 20.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -128.19 156.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -139.44 116.86 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 68' ' ' LEU . 85.7 m95 -73.14 147.7 44.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.47 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 80.2 m-85 -139.02 117.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -98.78 115.19 28.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.89 31.05 20.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.36 24.07 57.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 126.82 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 39.9 tttt -56.08 112.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 81' ' ' TYR . 20.8 mt -76.85 140.44 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -118.89 141.92 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.8 p -72.03 110.17 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' LYS . 29.0 m -135.03 168.12 19.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -39.75 -27.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.5 ttmt -83.7 -63.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.46 137.66 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -126.93 121.11 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG23 ' CD1' ' A' ' 68' ' ' LEU . 99.1 t -89.61 94.87 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -89.67 138.38 31.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.02 90.05 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 m -96.91 103.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.77 -111.93 2.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.2 m -105.58 40.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.6 m -145.72 116.47 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -104.14 106.45 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -110.54 133.81 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 6.6 tp -111.91 110.39 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.72 120.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.8 t -111.18 99.58 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -71.24 146.36 49.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 55.19 49.7 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.88 101.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -122.54 172.18 15.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' GLY . 62.4 mm-40 -36.85 -46.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.29 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' GLY . 36.7 mm-40 -75.91 -29.45 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.02 130.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.72 -121.77 0.85 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.29 106.28 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CD2' HD13 ' A' ' 51' ' ' LEU . 18.4 m-85 -90.39 144.02 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 m -129.68 108.35 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.19 88.81 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HA ' ' CB ' ' A' ' 89' ' ' GLN . 13.5 tt0 -76.86 151.5 35.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.547 ' HB1' ' CE1' ' A' ' 11' ' ' PHE . . . -169.66 110.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.87 -91.99 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.41 4.84 4.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -127.91 165.11 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.465 ' CB ' ' HA ' ' A' ' 84' ' ' GLU . 5.1 pt20 -165.87 137.28 3.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -94.61 -175.2 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 28.9 t -126.67 155.6 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 91' ' ' SER . 79.4 m-85 -158.07 106.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -86.66 104.57 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.4 tp -87.63 105.33 17.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.5 t -111.64 126.01 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.92 150.87 21.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.95 -156.66 12.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -151.77 169.04 23.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.341 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' PHE . 3.8 t -156.67 118.16 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 3.9 p90 -36.95 141.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -139.14 152.85 47.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -92.0 105.35 17.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.3 -177.21 41.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -68.5 101.53 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.851 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -43.82 -54.36 5.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.0 166.84 18.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -154.42 156.15 36.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -119.09 136.68 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.6 t -121.15 -25.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.1 -175.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.98 -179.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -21.48 9.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -97.67 34.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -130.77 144.13 52.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 152.53 69.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.82 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.47 130.86 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -122.67 152.75 40.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -102.93 145.17 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -138.47 134.79 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -118.07 141.58 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.81 176.54 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -114.22 157.38 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.65 119.93 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.18 -13.14 67.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 173.05 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -110.87 102.4 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.06 170.82 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m -160.12 112.78 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 mt -105.62 96.8 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -90.33 150.77 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 p -160.43 124.91 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.74 161.92 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.29 148.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -144.36 136.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.4 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -42.45 -24.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.8 m -65.97 130.71 44.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -90.43 152.57 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.9 174.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 m -159.99 112.95 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.57 ' CD1' HD11 ' A' ' 68' ' ' LEU . 85.7 m95 -69.77 155.18 40.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.1 m-85 -145.34 124.67 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -103.01 120.02 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 44.38 40.99 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.6 36.66 53.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -134.55 117.5 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 72.2 tttt -52.8 120.8 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.522 HD13 ' CD2' ' A' ' 81' ' ' TYR . 15.6 mt -82.47 150.75 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 54' ' ' SER . 39.1 t -130.31 99.08 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 87.7 p -40.24 93.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' SER . 3.8 m -107.84 175.22 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -40.8 -29.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -81.09 -67.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.79 134.2 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -125.31 130.19 51.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.74 107.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.24 143.09 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.9 90.11 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' GLY . 2.3 m -104.85 179.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.39 104.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 58.0 m 34.29 54.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 85.0 mmt-85 -102.49 96.82 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -104.41 135.17 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 44' ' ' TRP . 6.5 tp -108.77 102.57 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.77 110.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.426 ' CG1' ' HG2' ' A' ' 77' ' ' GLU . 98.9 t -100.39 104.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.89 147.78 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 47.61 50.27 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.54 104.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.5 171.7 13.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' GLY . 94.1 mm-40 -36.87 -51.85 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.6 -56.26 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' HG2' ' CG1' ' A' ' 70' ' ' VAL . 25.4 mp0 -59.15 -26.82 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.91 120.66 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.77 -139.54 4.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -119.24 124.96 48.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.522 ' CD2' HD13 ' A' ' 51' ' ' LEU . 12.8 m-85 -114.36 127.25 55.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -116.24 111.56 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.8 t -84.09 98.09 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -87.27 131.33 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.84 -0.89 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.4 86.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.94 -39.86 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -107.03 158.26 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -162.63 134.43 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.0 mt -87.8 142.28 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.93 138.35 31.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -139.44 106.27 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -84.55 106.98 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 tp -93.84 125.55 38.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -114.37 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.4 t -129.57 154.6 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.24 89.16 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.43 -161.02 20.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.01 156.23 48.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.96 112.22 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -59.02 125.62 24.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 p -113.71 -51.96 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -108.37 100.2 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.75 -72.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -92.82 41.34 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -51.68 117.44 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.35 174.7 41.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -63.58 132.66 51.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 59.2 t -106.47 127.92 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -108.01 -41.97 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -103.47 175.51 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.2 143.54 57.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.44 70.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.68 29.56 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 34' ' ' GLU . 26.1 mm-40 -80.65 137.89 51.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.13 3.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.74 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.577 ' HD1' ' N ' ' A' ' 19' ' ' ARG . 1.9 t-80 -144.02 127.07 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.577 ' N ' ' HD1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -117.85 97.75 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.6 102.23 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.28 154.1 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -131.93 161.28 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.8 162.26 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -100.76 152.5 20.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 119.35 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 -10.92 73.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.81 -176.42 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.6 p -122.56 103.22 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.73 176.44 5.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.8 m -159.69 110.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 mt -100.97 97.2 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -90.3 151.92 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.94 122.47 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 25.9 mt-10 -68.66 164.57 21.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.19 141.4 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -16.93 62.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -148.3 151.12 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.51 -59.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -42.58 -35.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.5 m -55.52 134.92 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -101.24 152.82 20.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 m -125.91 156.92 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 79.7 m -136.82 107.85 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.416 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.2 m95 -63.64 153.84 34.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -143.38 132.7 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -116.18 108.38 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 59.68 40.66 19.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.1 38.91 84.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -140.96 121.55 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -52.28 119.73 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.05 152.93 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -120.73 148.9 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 p -89.54 113.78 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -142.15 178.64 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -40.7 -38.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -71.45 -70.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.8 t -94.09 134.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -125.08 119.79 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -94.18 111.76 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -107.4 146.44 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.12 93.49 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.461 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 27.8 m -102.23 106.36 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.31 -106.58 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.9 m -112.15 39.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.461 ' HB ' ' CG2' ' A' ' 62' ' ' VAL . 3.7 m -139.04 114.99 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -105.43 102.31 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -108.0 148.22 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.416 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.3 tp -126.36 101.35 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.45 122.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.15 95.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -64.68 138.06 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 58.77 54.25 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.27 100.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.68 179.73 16.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -41.8 -37.35 1.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -54.83 22.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -64.63 -24.85 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.92 121.14 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.69 -144.79 6.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -121.94 110.43 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -97.78 126.53 43.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.7 m -115.95 111.59 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -80.21 92.96 5.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -79.79 154.36 28.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -168.42 116.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.45 -85.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.22 4.34 3.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 9' ' ' VAL . 48.1 mt-30 -123.98 163.1 22.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.733 0.301 . . . . 0.0 110.901 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -161.51 138.03 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -100.41 174.5 6.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.53 141.75 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -145.82 109.75 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -89.33 129.17 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.0 tp -113.97 115.5 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -105.33 141.78 36.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 69.9 t -109.62 134.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.15 109.47 18.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.22 -54.44 0.57 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 51.04 43.75 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 38.8 t -120.22 105.5 11.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -85.13 117.12 23.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.479 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -150.18 111.53 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -80.34 103.32 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.37 -172.66 42.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 m -123.14 143.87 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m 49.51 39.33 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.19 146.92 19.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -134.33 133.02 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.3 t -102.66 134.18 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.1 t -94.33 -35.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.466 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 79.6 m-85 -100.48 -175.15 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -175.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.97 -16.94 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -101.88 28.93 5.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -122.94 146.4 48.41 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 159.92 51.66 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.54 71.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.438 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -143.21 127.7 17.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.465 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 82.3 mtt180 -107.46 155.27 20.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.74 115.85 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.27 136.8 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -119.53 141.89 48.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.31 173.85 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -107.37 166.76 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.34 116.31 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.67 66.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.73 169.13 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -104.06 102.03 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.69 174.53 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 m -160.66 114.15 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.14 97.51 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -91.65 152.52 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -160.28 125.49 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -72.8 163.66 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.28 167.14 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.78 -26.25 25.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.81 128.6 15.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.74 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -54.39 -22.53 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.9 m -78.3 151.05 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -109.58 155.45 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -129.28 155.03 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 m -132.88 115.07 14.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.565 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.0 m95 -70.71 149.19 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -143.54 113.9 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' LYS . 29.9 tttm -99.01 136.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 t70 40.15 32.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.49 38.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' LYS . 12.2 ptpt -129.7 139.2 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -71.48 106.95 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.67 159.62 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -139.75 130.82 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.1 t -64.48 104.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' VAL . 8.1 t -127.23 169.45 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -37.95 -34.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -77.43 -60.08 2.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.2 t -105.67 129.11 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -119.33 124.1 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 68' ' ' LEU . 90.5 t -93.49 100.59 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.19 139.75 30.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.82 85.29 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 m -90.83 -176.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.66 104.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.0 m 38.35 53.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -159.99 118.54 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -110.04 105.75 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -110.87 132.45 54.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 44' ' ' TRP . 4.7 tp -108.77 105.36 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 t -87.08 114.22 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.55 97.84 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -70.28 141.87 52.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 58.9 47.82 11.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.42 110.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.42 172.6 18.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 31.1 mm-40 -34.68 -57.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.84 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -64.21 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.56 123.37 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.4 -128.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.25 113.64 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -98.44 129.63 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -123.28 110.8 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.1 t -86.88 93.61 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -73.68 154.97 39.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HB1' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.97 110.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.88 -90.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.9 20.75 3.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -143.18 171.63 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -166.44 131.16 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.46 147.89 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.69 151.51 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 60.2 m-85 -152.56 111.65 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -87.72 121.82 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.44 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 37.1 tp -106.5 103.31 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.413 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 69.2 mt-30 -91.06 131.36 36.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.1 t -113.84 127.05 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.04 103.93 8.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.58 -144.16 43.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.427 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -165.0 169.85 15.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.9 t -130.38 152.61 49.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -41.26 -47.52 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -108.68 114.32 28.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -136.41 132.05 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.85 -167.32 11.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -143.93 147.41 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -45.51 133.23 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.47 42.46 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 105.07 8.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -106.86 132.06 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' CG1' ' HB2' ' A' ' 85' ' ' ALA . 97.9 t -105.97 -46.52 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.405 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 49.7 m-85 -101.77 176.89 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' CB ' ' HG2' ' A' ' 15' ' ' GLN . . . -51.89 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -103.61 -18.52 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.88 21.39 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.458 HE22 ' N ' ' A' ' 34' ' ' GLU . 27.6 mm-40 -66.13 136.68 95.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 113.19 3.29 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.1 -38.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.476 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -157.48 117.66 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' N ' ' HD1' ' A' ' 18' ' ' HIS . 33.6 ttt180 -102.7 149.37 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -107.45 126.89 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.36 138.41 50.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -120.58 155.46 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.82 172.97 15.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -107.44 161.99 14.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.47 118.37 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -13.87 65.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.17 -175.72 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -120.46 106.14 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.86 176.8 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.6 m -161.05 107.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.5 98.28 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -89.65 158.64 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -170.89 131.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' N ' HE22 ' A' ' 15' ' ' GLN . 12.1 mt-10 -76.6 169.56 18.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -144.84 143.8 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.35 -18.02 47.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -150.5 151.4 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.77 -56.93 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -46.63 -27.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -57.85 150.51 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.34 149.05 38.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -129.67 152.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 69.6 m -131.7 109.8 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.561 ' CD1' HD13 ' A' ' 68' ' ' LEU . 87.8 m95 -64.36 153.88 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 91.4 m-85 -147.62 120.86 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -99.06 102.77 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t0 66.0 33.71 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.93 71.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -111.79 120.47 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.8 tttm -57.71 113.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 mt -78.05 150.42 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 t -126.68 138.33 53.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.7 p -68.4 130.31 42.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -158.98 171.27 20.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 m -43.33 -26.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -81.04 -68.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.02 139.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -128.24 121.19 28.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.49 95.45 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 7.8 mt-10 -88.35 135.6 33.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.67 102.36 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 30.5 m -112.77 108.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.6 -105.93 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.91 27.95 9.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.455 ' HB ' ' CG2' ' A' ' 62' ' ' VAL . 3.5 m -129.22 119.83 24.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.8 mmt-85 -112.02 106.24 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.432 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.6 ptm180 -109.95 145.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.561 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.6 tp -122.16 103.43 8.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -83.87 121.14 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 90.1 t -108.91 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -69.48 138.47 53.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 62.04 44.72 7.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.0 106.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -130.31 173.12 20.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 97.0 mm-40 -34.43 -53.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.63 -52.45 13.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 62.1 mm-40 -69.46 -32.41 71.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.78 127.84 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.78 -119.63 0.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -147.15 109.32 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.05 139.53 31.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 m -128.98 110.2 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.94 98.31 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.93 152.72 23.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' HB2' ' CG1' ' A' ' 10' ' ' VAL . . . -175.03 112.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.76 -94.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.24 12.49 3.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -135.8 169.71 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -166.93 135.4 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -92.71 176.1 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.6 141.77 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -143.94 105.17 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.17 119.62 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.1 tp -102.04 112.11 24.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -103.55 141.57 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.7 t -121.68 136.55 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.04 179.27 5.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' GLN . . . -46.95 133.76 11.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.42 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' GLY . 2.1 tt0 -36.73 -45.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 99' ' ' GLN . 2.4 t -37.99 142.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -140.6 124.69 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 53.51 42.18 31.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -119.9 148.95 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.72 91.59 0.59 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -54.08 170.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -49.66 123.93 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.31 131.28 10.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 115.13 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -100.2 135.81 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.468 ' CG2' ' HA3' ' A' ' 86' ' ' GLY . 59.6 t -109.56 -35.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 32.3 m-85 -100.68 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.11 179.99 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.83 -20.68 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -96.29 30.22 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -124.82 139.82 34.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.55 0.691 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 140.83 43.7 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.46 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.94 127.08 37.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -111.96 139.74 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -96.67 131.94 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.2 140.93 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 23' ' ' ALA . 37.4 tt0 -120.62 156.26 32.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 22' ' ' GLN . . . -163.72 167.69 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -99.57 168.78 9.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 99' ' ' GLN . . . -76.35 120.78 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 -5.16 69.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.18 -176.39 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -116.64 95.06 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.75 171.91 3.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.038 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.3 m -159.72 120.47 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -112.93 99.21 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -94.65 148.82 21.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.97 119.06 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -64.73 160.46 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -136.86 152.21 28.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.95 -15.62 60.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -152.19 126.15 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.19 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.2 -15.85 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -81.18 138.54 35.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.99 153.21 18.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.96 157.79 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.514 HG21 ' CE2' ' A' ' 45' ' ' TYR . 53.4 m -138.48 111.11 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -67.09 154.88 40.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE2' HG21 ' A' ' 43' ' ' THR . 76.6 m-85 -145.12 122.83 11.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -104.73 123.3 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 49.09 40.07 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.6 34.37 67.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -133.83 137.53 45.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -65.93 122.79 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.0 145.67 25.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.2 t -118.34 149.85 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 p -83.05 105.01 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -129.78 173.69 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.6 p -42.51 -27.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -82.12 -69.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 58' ' ' ARG . 45.6 t -92.42 138.65 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' HG13 ' A' ' 57' ' ' VAL . 20.2 ttm180 -129.21 119.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.6 t -92.1 99.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -91.91 142.71 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.54 101.71 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 63' ' ' GLY . 11.7 m -116.09 -176.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.95 102.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' GLY . 84.8 m 34.3 50.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -152.45 116.21 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -109.72 104.84 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -107.69 144.2 35.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 tp -120.41 101.27 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -82.5 114.59 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -102.31 102.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -72.91 143.5 47.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 54.58 52.64 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.22 106.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -122.55 174.38 16.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' GLY . 89.9 mm-40 -37.88 -50.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.67 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -63.91 -34.12 77.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.71 119.83 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.01 -130.34 1.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -136.59 116.46 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.32 130.34 47.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 m -117.04 110.43 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.3 t -83.37 86.94 6.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' OE1' ' CE2' ' A' ' 45' ' ' TYR . 24.7 tt0 -69.44 139.61 54.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.64 116.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 10' ' ' VAL . . . 62.96 42.17 99.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.84 -22.61 5.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -89.1 -179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.93 126.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.6 mt -96.71 134.08 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.93 146.42 28.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -148.1 105.68 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 130.96 35.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.4 tp -114.81 114.36 25.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 64.4 mt-30 -102.48 130.61 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.36 137.22 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 98' ' ' GLY . . . -77.27 171.14 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 97' ' ' ALA . . . -35.34 120.93 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.449 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.405 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 50.1 tt0 -53.76 137.97 36.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 55.2 m -99.25 157.37 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -113.05 132.47 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -95.48 94.15 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -92.05 89.08 6.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.1 81.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -159.87 136.48 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -113.24 151.66 30.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.96 115.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -111.66 140.29 46.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t -119.05 130.24 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.13 -37.97 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 27.4 m-85 -97.91 -176.02 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.16 176.77 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -21.71 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.61 39.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -130.9 142.48 45.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 154.46 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.22 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -143.52 131.23 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 41.5 mtt180 -112.95 158.1 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -111.42 124.56 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 22' ' ' GLN . 25.3 t -124.47 143.6 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.452 ' N ' HG13 ' A' ' 21' ' ' VAL . 13.4 pt20 -130.82 172.7 11.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' GLN . . . -174.65 179.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -111.43 153.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.55 118.84 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.58 -27.05 20.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 173.17 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -111.78 110.01 20.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.3 178.51 7.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.5 m -161.61 113.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.65 97.66 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -92.95 147.46 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.6 p -154.36 131.18 10.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.55 160.59 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.2 156.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.48 -19.67 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -138.03 174.24 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.9 -56.78 2.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -56.44 -14.62 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -72.04 129.12 37.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.86 155.65 16.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.3 m -129.1 155.14 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 74.6 m -131.84 103.58 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 83' ' ' CYS . 94.6 m95 -59.29 155.92 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.1 m-85 -148.87 113.95 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.508 ' HD2' ' CZ ' ' A' ' 81' ' ' TYR . 19.4 tttm -92.85 129.42 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 25.6 t70 40.64 37.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.1 36.83 44.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' LYS . 18.8 mtpt -133.28 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -68.49 122.2 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.51 157.05 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -132.58 122.15 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -59.95 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' SER . 18.9 m -119.45 164.64 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -35.85 -34.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 54' ' ' SER . 45.0 tttt -74.37 -58.42 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -109.23 134.22 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -124.18 132.17 53.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.8 t -93.41 92.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -87.38 135.92 33.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.13 89.71 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 m -95.65 115.54 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.75 -115.73 2.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.4 m -102.33 37.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 m -142.98 128.83 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -115.98 110.54 19.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -109.61 147.84 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.433 HD12 ' CD1' ' A' ' 44' ' ' TRP . 6.9 tp -123.62 101.36 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.95 118.05 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 75.4 t -106.82 99.52 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -71.65 142.56 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 57.48 48.88 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.0 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -117.03 173.0 14.49 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 9.2 mm-40 -34.34 -54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.68 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.451 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 9.1 mm-40 -56.58 -39.42 73.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.48 131.73 51.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.41 -138.15 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.444 ' CG ' ' HG3' ' A' ' 93' ' ' ARG . 34.3 mt-10 -131.43 108.67 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.508 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 23.0 m-85 -89.66 157.38 18.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.0 m -140.51 113.64 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 47.2 t -89.51 97.15 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.477 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.3 tt0 -79.47 149.45 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -171.66 111.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.83 -82.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.95 25.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -139.55 146.86 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.477 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 17.9 mt-30 -139.47 126.62 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 mt -101.68 133.78 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.15 134.12 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CE1' ' HD2' ' A' ' 19' ' ' ARG . 59.0 m-85 -135.03 90.17 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.444 ' HG3' ' CG ' ' A' ' 80' ' ' GLU . 2.8 ttt85 -72.71 129.63 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.1 tp -113.64 127.48 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 51.7 mt-30 -113.54 132.66 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.3 t -109.3 133.25 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.22 107.33 19.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.81 -172.13 21.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -152.36 137.15 17.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 42.9 t -92.48 -55.85 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.42 -54.41 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.6 t -35.17 129.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -151.39 155.35 38.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.22 -90.91 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -69.72 102.43 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.852 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -58.75 142.61 49.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.84 170.85 24.38 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -151.94 165.89 33.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.74 124.32 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.2 t -101.22 -36.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.23 168.22 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 15' ' ' GLN . . . -54.27 152.34 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -69.58 -34.13 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 23.41 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.471 ' HG2' ' CB ' ' A' ' 12' ' ' ALA . 23.2 mm-40 -72.9 138.55 79.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.559 0.695 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.85 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -154.13 112.25 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 4.6 mtp85 -86.7 167.2 14.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -131.58 102.4 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 22' ' ' GLN . 85.8 t -98.72 148.47 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.441 ' N ' HG13 ' A' ' 21' ' ' VAL . 45.4 tt0 -133.52 140.78 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.96 -179.71 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.36 152.09 36.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.77 117.03 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.44 -7.93 71.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -176.98 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 t -116.84 111.89 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.61 173.22 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -161.05 115.5 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 10.5 mt -109.59 97.41 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.5 t -90.39 150.62 21.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -160.77 125.12 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.451 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 20.8 mt-10 -69.66 167.0 17.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.31 132.83 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.53 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -140.72 142.9 34.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 -54.09 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -45.7 -33.0 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -59.76 137.53 58.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -97.71 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.87 155.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 94.3 m -137.29 109.5 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CD1' HD11 ' A' ' 68' ' ' LEU . 90.9 m95 -63.96 152.71 39.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 43' ' ' THR . 62.8 m-85 -142.19 115.94 9.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -98.97 112.89 24.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 t0 56.67 41.01 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.68 71.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -134.82 130.02 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -59.72 123.78 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.422 HD11 ' CD2' ' A' ' 81' ' ' TYR . 20.1 mt -91.23 146.05 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -121.56 142.89 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 109.58 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -134.21 166.41 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 m -43.64 -25.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -85.53 -51.8 6.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.9 t -111.43 132.61 59.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -123.75 121.81 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 68' ' ' LEU . 89.4 t -92.49 95.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -89.69 135.9 33.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.39 89.73 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -99.64 122.57 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.46 -107.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 82.8 m -111.65 45.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.0 m -149.81 112.97 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -104.81 101.49 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -104.81 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.533 HD11 ' CD1' ' A' ' 44' ' ' TRP . 6.2 tp -123.67 102.22 7.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.7 t -81.77 119.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.3 t -102.71 93.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -65.86 143.5 57.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 51.72 50.48 18.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.99 104.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.16 171.41 14.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.449 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -41.97 -36.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.929 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.54 77.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -19.18 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.11 130.17 40.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.04 -115.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -154.41 107.76 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' CD2' HD11 ' A' ' 51' ' ' LEU . 7.8 m-85 -94.54 135.21 36.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -124.63 117.28 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.05 93.98 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -80.61 152.96 28.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.09 107.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.08 -91.02 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.61 5.4 3.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -126.83 166.5 17.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -168.16 128.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.08 175.38 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.49 143.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -142.8 106.17 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -83.97 111.26 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.4 tp -96.7 113.67 25.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -99.59 148.11 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.2 t -127.5 127.0 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.36 170.21 13.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.51 160.0 2.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.03 110.93 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 26.3 p -58.22 172.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -77.97 161.66 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -156.88 159.5 38.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -123.74 103.86 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.09 -147.44 18.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -119.72 123.86 44.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -107.55 145.01 33.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.79 150.57 28.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -124.51 123.16 39.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.3 t -89.3 110.72 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.8 t -115.14 -31.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -110.73 172.63 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 15' ' ' GLN . . . -63.51 144.47 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.86 35.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 29.0 mm-40 -87.75 133.15 38.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' ALA . 54.3 Cg_endo -69.7 109.0 2.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -35.39 -37.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.01 118.0 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -103.04 160.28 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -120.61 127.25 51.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.8 t -119.99 137.86 52.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -118.53 148.55 42.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.12 171.03 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' CD ' ' HB2' ' A' ' 97' ' ' ALA . 7.0 mm-40 -108.87 160.24 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 119.26 10.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.02 -13.14 65.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.15 -177.11 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -120.67 100.49 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.7 167.4 13.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.0 m -157.38 111.89 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -103.06 97.07 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -92.34 145.53 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -154.06 130.36 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.467 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 40.2 mt-10 -70.6 162.04 29.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.5 143.99 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.98 -27.57 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -141.24 136.23 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.85 -49.1 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.6 -28.48 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.4 m -64.86 143.85 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -104.79 146.34 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -123.77 151.78 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.7 m -132.03 119.96 21.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.565 ' CD1' HD12 ' A' ' 68' ' ' LEU . 87.9 m95 -74.59 156.68 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 78.1 m-85 -148.7 114.89 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -98.6 120.82 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 50.1 44.53 25.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.89 40.05 97.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -138.3 122.83 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 60.5 tttm -51.28 118.86 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 81' ' ' TYR . 28.7 mt -87.94 136.11 33.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' SER . 30.8 t -120.84 109.05 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.4 p -38.87 97.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.3 p -105.11 171.46 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.0 m -46.16 -22.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.27 -47.0 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -108.95 132.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -124.18 129.24 50.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -95.12 102.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.4 mp0 -90.5 156.41 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.6 107.4 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' GLY . 3.6 m -120.55 -176.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.21 104.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLY . 94.8 m 34.35 48.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -151.43 125.53 9.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 84.7 mmt-85 -119.1 114.94 23.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 9.2 ptm180 -118.51 142.29 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.565 HD12 ' CD1' ' A' ' 44' ' ' TRP . 5.7 tp -116.04 101.8 9.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.4 t -82.14 123.6 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.9 t -113.4 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -66.65 148.92 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 47.04 51.59 12.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 103.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.28 170.14 13.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' GLY . 41.1 mm-40 -37.37 -49.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.48 46.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.78 -27.77 69.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.9 122.49 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.38 -151.1 10.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -115.54 106.46 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.488 ' CD2' HD13 ' A' ' 51' ' ' LEU . 15.7 m-85 -93.52 133.45 36.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.7 m -117.86 124.03 47.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 97.01 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -83.75 157.04 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.66 111.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.3 -89.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.39 10.13 3.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -132.53 165.74 23.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -160.1 156.27 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.26 174.58 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.32 138.03 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -141.83 106.45 4.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -83.91 127.62 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 tp -111.82 106.66 15.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -98.78 135.93 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -116.56 127.1 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.41 ' HB2' ' CD ' ' A' ' 24' ' ' GLU . . . -83.42 120.76 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.33 -161.67 50.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -115.71 -47.63 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 45.2 t -153.09 133.11 13.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 5.0 p90 -38.8 144.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -44.19 -48.31 9.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 m 62.49 41.68 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 129.57 33.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -49.8 -59.27 3.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 m -154.19 135.95 14.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.42 72.47 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.19 124.76 18.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.7 t -109.59 126.24 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -100.02 -41.26 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CD2' HD13 ' A' ' 90' ' ' LEU . 74.2 m-85 -105.15 -178.66 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 175.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.95 -20.26 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -99.27 31.76 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -127.54 143.22 46.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 146.59 61.15 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.26 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.46 128.41 37.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -113.24 143.49 44.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -93.14 142.23 27.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -135.28 148.28 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -134.79 153.48 52.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.18 170.73 21.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 126.29 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.64 -19.34 41.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 171.71 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -109.12 106.69 16.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.53 168.03 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.3 m -154.3 118.58 4.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.5 mt -108.83 96.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -91.62 146.27 23.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 27.3 p -154.89 134.92 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -80.98 160.82 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.81 160.26 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.44 -27.46 34.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -134.59 156.19 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.84 -63.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -45.11 -25.05 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.7 m -62.99 117.28 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.02 153.51 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.35 163.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.6 m -147.99 106.11 3.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CD1' HD13 ' A' ' 68' ' ' LEU . 88.2 m95 -60.3 153.93 21.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.0 m-85 -147.79 117.42 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 81' ' ' TYR . 39.6 tttp -98.65 133.59 42.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 41.1 40.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.32 39.69 87.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -138.3 142.77 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -68.09 118.97 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.75 159.23 21.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.2 t -121.07 152.79 38.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.9 p -98.21 83.63 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 55' ' ' SER . 2.1 t -112.71 168.43 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.1 m -34.68 -40.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.39 -64.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.21 134.02 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.65 124.23 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -89.85 98.95 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -95.1 143.06 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.72 92.21 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.0 m -97.58 109.19 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.6 -114.31 2.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.0 m -102.6 39.38 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.6 m -145.84 129.12 16.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 mmt-85 -115.36 112.92 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -110.86 145.66 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -122.6 103.06 8.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.7 119.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 95.6 t -109.0 100.35 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.43 147.77 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 49.63 46.09 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 112.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -125.77 -179.25 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' GLY . 15.4 mp0 -35.08 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.78 -49.28 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.462 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 26.5 mm-40 -60.02 -34.96 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.22 124.72 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' HA3' ' NZ ' ' A' ' 46' ' ' LYS . . . 169.28 -127.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -138.77 127.13 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 14.7 m-85 -108.9 137.29 47.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 45' ' ' TYR . 16.1 m -124.41 117.89 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.04 97.04 10.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.6 tt0 -85.43 127.43 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.44 10.4 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.46 78.78 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.96 -40.37 2.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' C ' ' HG3' ' A' ' 89' ' ' GLN . 27.5 mt-30 -94.42 140.94 29.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.478 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 24.2 mt-30 -146.56 123.85 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.539 HD13 ' CD2' ' A' ' 11' ' ' PHE . 22.4 mt -93.41 125.87 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.72 135.35 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 57.1 m-85 -134.97 95.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.43 ' NE ' ' HG3' ' A' ' 95' ' ' GLN . 1.7 tmm_? -72.4 122.49 21.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.9 tp -110.24 117.74 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.43 ' HG3' ' NE ' ' A' ' 93' ' ' ARG . 49.8 mt-30 -107.06 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 97' ' ' ALA . 95.1 t -109.54 138.21 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.4 ' N ' HG12 ' A' ' 96' ' ' VAL . . . -116.35 109.66 17.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.52 172.24 15.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -102.15 121.18 41.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 43.1 t -134.26 135.67 43.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -120.83 -55.77 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -103.32 138.5 40.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m -46.54 107.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.67 56.01 3.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -82.36 40.96 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -145.24 135.47 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.32 98.53 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -92.9 174.48 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t -126.15 129.62 72.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 85' ' ' ALA . 21.3 t -106.45 -33.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.72 165.03 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.28 169.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -25.45 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -95.17 32.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.474 ' NE2' ' HB2' ' A' ' 34' ' ' GLU . 30.7 mm-40 -88.67 137.46 30.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.68 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.36 -30.29 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 29.4 t-80 -147.37 105.21 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -101.36 93.86 5.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.56 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 13.7 mt-10 -75.98 111.35 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.5 t -106.06 133.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -106.34 152.66 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.21 176.68 12.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -113.44 151.72 31.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.32 116.04 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.03 -17.92 56.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.05 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 m -117.03 98.61 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 176.64 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -162.06 112.85 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -104.71 96.89 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -92.38 158.05 16.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 p -171.71 131.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.474 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 53.7 mt-10 -71.11 165.62 23.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 4.4 m -140.18 145.27 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.5 -19.28 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -153.73 141.88 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -71.94 -68.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' ALA . 8.4 tt0 -34.43 -43.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -41.91 133.46 2.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 147.11 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 m -124.99 167.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m -154.48 109.32 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -68.82 148.87 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.544 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 65.5 m-85 -137.65 124.87 21.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -104.03 124.05 48.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 43.66 41.36 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.78 38.5 56.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -136.41 132.58 35.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.9 tttt -61.61 115.91 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -81.49 147.25 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -126.21 147.72 49.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -78.78 74.41 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' SER . 3.4 p -87.93 167.94 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 6.0 t -37.51 -34.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -81.94 -61.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.52 129.63 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -128.4 114.69 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.49 108.47 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -100.54 138.25 37.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 97.1 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 63' ' ' GLY . 16.4 m -109.17 -175.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.51 102.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 89.5 m 33.77 46.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.403 ' HB ' ' CG2' ' A' ' 62' ' ' VAL . 3.0 m -147.07 118.82 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 75.1 mmt-85 -109.41 104.24 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -109.23 135.23 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tp -112.2 104.35 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.6 t -86.62 109.31 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.05 93.06 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.97 133.21 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.83 54.22 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.49 106.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.24 167.83 12.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' GLY . 68.4 mm-40 -34.88 -46.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.03 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.8 mm-40 -61.4 -39.74 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.08 128.7 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.71 -120.09 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -141.72 114.25 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -101.25 135.55 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -124.23 114.83 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.8 t -88.89 98.54 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -91.5 128.37 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' A' ' 10' ' ' VAL . . . -122.67 10.41 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 122.51 92.73 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.19 -41.11 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -108.19 149.49 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -161.89 126.35 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.7 mt -83.57 163.86 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.9 146.12 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -143.13 110.39 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -86.7 106.77 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.1 tp -95.42 126.28 40.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -120.07 134.43 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.6 t -107.64 133.29 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.09 118.33 30.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.43 179.29 49.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -91.43 144.74 25.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.6 t -92.27 125.25 36.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -62.98 159.51 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m 50.81 42.15 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -87.83 133.29 33.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.51 -116.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -131.53 140.5 49.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -113.97 101.24 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.43 92.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.17 174.42 5.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t -128.21 126.79 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.2 t -104.37 -39.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -104.8 170.52 7.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.27 171.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -33.02 16.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -92.19 29.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' NE2' ' HB2' ' A' ' 34' ' ' GLU . 27.2 mm-40 -77.06 131.86 71.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 19' ' ' ARG . 53.9 Cg_endo -69.79 112.47 3.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.18 -29.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.713 ' HD1' ' N ' ' A' ' 19' ' ' ARG . 4.4 t-80 -147.08 139.83 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.713 ' N ' ' HD1' ' A' ' 18' ' ' HIS . 16.9 mtt-85 -126.7 90.25 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 2.0 mp0 -66.08 107.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.2 143.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -116.16 159.12 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.12 170.59 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -114.57 152.14 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.66 116.7 3.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -6.64 66.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.02 173.83 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.9 p -112.11 99.37 8.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.43 172.4 6.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.9 m -160.97 109.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 mt -102.71 97.13 7.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -92.9 151.85 19.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.3 p -158.86 132.68 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 32.3 mt-10 -70.1 159.88 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.1 131.43 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.42 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -149.9 136.38 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -72.88 -63.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 29.8 pt20 -35.59 -36.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.8 m -53.27 150.17 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -109.16 153.44 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.88 162.02 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.2 m -143.98 108.44 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.488 ' CG ' HD12 ' A' ' 68' ' ' LEU . 90.2 m95 -65.12 150.33 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 60.4 m-85 -140.07 116.98 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -92.83 127.09 38.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.28 42.88 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.26 36.58 70.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -138.33 131.01 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 57.4 tttt -58.48 120.02 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.91 175.35 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -151.72 126.55 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 94.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' SER . 24.2 p -110.7 167.45 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.9 m -36.02 -35.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 77' ' ' GLU . 26.0 ttmt -80.92 -65.63 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.29 131.63 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -126.28 121.96 34.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.02 103.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.07 138.78 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.87 90.5 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' GLY . 1.6 m -96.99 -179.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -36.04 107.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 42.7 m 34.09 47.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -153.52 121.07 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 72.9 mmt-85 -110.79 108.96 18.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -111.28 144.37 40.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.488 HD12 ' CG ' ' A' ' 44' ' ' TRP . 4.9 tp -118.47 98.31 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.6 t -80.91 115.97 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -105.59 102.07 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -71.1 146.55 49.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 48.62 50.86 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 102.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.73 171.62 13.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 74' ' ' GLY . 10.2 mm-40 -35.14 -53.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.87 -57.89 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 3.8 mm-40 -55.49 -38.95 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.16 132.44 38.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.71 -141.37 6.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.39 105.0 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -84.09 161.25 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' TYR . 20.3 m -143.55 110.49 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.0 t -86.96 94.79 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -81.85 155.31 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.62 110.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.88 -95.27 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.59 27.35 3.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -147.64 166.66 26.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -166.44 125.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 mt -95.43 154.0 17.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.525 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 29.2 t -97.1 155.65 16.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 91' ' ' SER . 47.0 m-85 -154.73 105.33 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -85.92 132.87 33.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.9 tp -116.02 114.69 24.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -99.94 144.84 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.51 134.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.68 168.46 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.99 -142.8 31.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -158.36 139.94 13.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 101' ' ' PHE . 58.1 m -48.94 -54.27 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 102' ' ' GLY . 56.7 t80 -38.2 120.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -75.06 151.1 38.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 t -79.98 -47.51 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.65 87.87 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -60.0 -47.59 85.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.816 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -83.29 81.0 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.11 141.07 8.21 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -174.72 108.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 69.6 t -98.45 138.32 23.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 15.4 t -107.99 -30.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 85.6 m-85 -114.91 162.39 16.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -48.44 166.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -21.44 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.6 46.16 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.52 142.26 28.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 146.65 60.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.1 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -149.41 117.85 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' N ' ' HD1' ' A' ' 18' ' ' HIS . 34.4 mtt-85 -97.26 149.84 21.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -112.5 103.2 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 93' ' ' ARG . 97.0 t -93.29 137.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.47 141.08 52.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.85 -175.84 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -120.57 157.37 29.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 117.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -30.0 11.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.5 -176.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -129.04 102.47 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.41 ' CB ' HD13 ' A' ' 94' ' ' LEU . . . -74.55 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -154.07 108.23 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -95.9 98.18 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -89.02 159.54 17.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -173.12 134.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.12 171.7 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.49 141.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.72 -15.34 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -158.52 138.59 12.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.87 -53.7 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -42.2 -30.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -63.67 131.83 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.16 149.05 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.11 174.49 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.432 HG23 ' CZ ' ' A' ' 45' ' ' TYR . 88.9 m -161.24 105.7 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 68' ' ' LEU . 79.3 m95 -64.24 149.67 47.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 55.9 m-85 -138.62 121.16 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -105.3 120.93 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 47.63 44.99 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.08 40.84 97.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -139.76 121.3 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 30.0 ttmt -54.23 105.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 81' ' ' TYR . 27.2 mt -66.31 142.43 57.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -113.47 129.0 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 p -67.47 96.36 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -126.53 170.61 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -37.84 -36.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -70.03 -62.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.0 t -106.07 131.23 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttm-85 -118.62 115.84 25.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.5 t -83.64 93.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 18.2 mm-40 -85.89 136.27 33.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.91 100.23 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' GLY . 6.1 m -113.07 -179.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.81 108.93 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 63' ' ' GLY . 15.8 p 33.61 47.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.391 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 m -153.49 121.64 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 78.5 mmt-85 -117.36 108.16 15.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.9 ptm180 -111.15 143.12 42.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 5.8 tp -118.88 103.84 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.1 t -83.15 117.37 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.3 t -102.7 92.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -65.97 140.9 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 57.27 49.42 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.96 100.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.49 173.43 14.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -38.11 -54.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.18 -42.94 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.37 -33.91 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.71 121.07 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.23 -137.52 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.433 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -128.87 105.11 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.428 ' CD2' HD13 ' A' ' 51' ' ' LEU . 9.3 m-85 -91.88 126.14 36.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.422 ' HB3' ' CD ' ' A' ' 89' ' ' GLN . 25.5 m -116.34 125.67 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.1 t -96.08 102.09 13.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -93.87 134.91 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.432 ' HB3' ' CG1' ' A' ' 10' ' ' VAL . . . -131.84 -0.67 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.67 83.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.58 -38.24 2.29 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -103.73 154.7 19.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -171.43 137.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.97 168.85 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.03 136.38 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -133.61 88.11 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' VAL . 11.2 tpp85 -65.76 115.4 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD13 ' CB ' ' A' ' 29' ' ' ALA . 42.2 tp -101.09 115.18 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -105.25 146.58 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.8 t -124.57 131.29 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.68 116.39 30.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.23 -179.76 50.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -107.25 143.83 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.5 m -50.93 171.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -49.78 165.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.509 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -65.38 -61.06 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -115.54 5.85 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.45 -65.4 3.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -109.02 125.34 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -161.57 150.49 15.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.16 53.81 3.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -43.99 141.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 56.1 t -124.43 126.4 71.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.464 HG12 ' CB ' ' A' ' 85' ' ' ALA . 97.8 t -97.31 -40.49 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 47.2 m-85 -104.99 163.17 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' HB1' ' NE2' ' A' ' 15' ' ' GLN . . . -50.21 175.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -17.91 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -99.01 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.469 ' NE2' ' HB1' ' A' ' 12' ' ' ALA . 13.6 mt-30 -121.47 134.85 24.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.554 0.692 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' HIS . 53.8 Cg_endo -69.77 128.43 16.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.06 -25.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -160.01 121.77 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -103.37 144.44 31.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.58 134.75 45.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.7 t -131.97 133.57 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -117.67 148.86 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.09 174.8 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -106.41 156.6 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 120.03 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.64 -13.83 66.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.46 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -117.51 109.4 16.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.9 176.85 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -164.79 105.47 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.85 97.4 9.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -92.25 153.77 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.9 p -163.89 131.09 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 23.5 mt-10 -71.62 158.72 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.58 131.83 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.85 -22.74 10.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -145.59 141.86 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -39.27 -35.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -54.85 138.44 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -103.14 149.57 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -125.06 164.25 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -148.55 107.52 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.553 ' CD1' HD11 ' A' ' 68' ' ' LEU . 82.8 m95 -65.32 154.18 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 70.8 m-85 -144.02 116.8 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -99.94 118.72 36.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 52.01 38.7 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.59 37.39 68.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -140.62 112.24 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 10.7 ttpt -44.23 127.65 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 81' ' ' TYR . 34.1 mt -86.87 145.08 26.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.5 t -117.57 126.05 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 t -65.35 89.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.9 m -113.54 172.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t -40.23 -29.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -81.66 -62.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' SER . 31.2 t -103.1 135.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -130.04 124.87 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 68' ' ' LEU . 61.0 t -91.91 95.07 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -89.34 134.69 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.37 95.81 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 m -98.15 103.43 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.58 -110.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.1 m -107.41 39.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -143.78 116.87 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -103.73 116.69 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' NH2' HG22 ' A' ' 69' ' ' VAL . 7.6 ptm180 -119.42 144.7 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -118.9 99.12 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.406 HG22 ' NH2' ' A' ' 67' ' ' ARG . 52.3 t -80.19 116.26 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -105.1 97.19 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -70.5 142.47 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 57.71 49.24 12.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.16 100.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.89 172.52 14.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' GLY . 74.5 mm-40 -34.75 -55.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.69 -53.04 34.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -58.11 -38.69 76.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.13 120.86 9.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.34 -129.57 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -135.84 109.81 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.485 ' CD2' HD13 ' A' ' 51' ' ' LEU . 11.6 m-85 -95.53 126.14 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 110.51 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.54 94.65 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.8 tt0 -82.14 142.5 32.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.51 110.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.02 -80.52 0.95 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.81 16.67 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -130.85 156.04 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.475 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 35.6 mt-30 -145.61 131.69 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -106.69 123.55 48.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.24 133.84 38.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -132.1 96.36 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -72.14 118.9 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.1 tp -110.16 108.49 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -100.25 146.72 26.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.3 t -117.46 140.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.44 138.76 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.3 -156.03 38.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -137.62 150.57 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.78 99.92 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -79.42 172.82 13.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 67.24 47.54 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -66.1 96.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.2 -120.61 2.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t 61.61 40.98 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -82.4 -50.18 9.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.39 136.14 6.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.5 122.61 32.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t -84.53 130.08 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.2 t -105.96 -33.48 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.8 166.46 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' HB1' ' CG ' ' A' ' 15' ' ' GLN . . . -54.54 -179.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -102.31 -34.55 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.75 49.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.428 ' CG ' ' HB1' ' A' ' 12' ' ' ALA . 12.1 mt-30 -119.26 139.63 27.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.08 9.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.55 -26.31 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.37 124.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.559 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 4.7 ptm180 -115.83 163.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -126.08 103.18 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.85 151.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -114.9 161.46 18.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.26 162.11 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -104.61 153.84 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.72 114.84 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.44 61.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.6 -175.17 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -123.03 105.93 10.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 173.95 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -159.27 106.68 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 mt -103.97 102.54 12.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -103.62 160.65 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.0 p -168.28 136.53 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.64 162.62 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.9 145.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -19.09 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -147.36 139.68 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -77.17 -62.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ALA . 23.2 pt20 -36.91 -39.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.5 m -48.5 147.02 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -107.9 158.4 17.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 HG11 ' CB ' ' A' ' 85' ' ' ALA . 2.7 m -138.25 163.04 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.3 m -147.61 113.94 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.57 ' CD1' HD13 ' A' ' 68' ' ' LEU . 89.5 m95 -69.53 149.99 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 97.4 m-85 -143.46 120.39 11.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -98.34 104.77 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t0 66.36 30.44 8.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.11 71.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 10.1 mptt -107.66 131.85 53.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 61.4 tttm -66.86 109.39 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.437 HD12 ' CD2' ' A' ' 81' ' ' TYR . 12.3 mt -73.39 151.06 41.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -125.11 119.75 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.9 p -55.09 100.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.3 t -132.21 168.42 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' SER . 54.2 m -34.5 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -61.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' CG1' HD12 ' A' ' 68' ' ' LEU . 71.1 t -108.3 132.73 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -116.73 119.56 35.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 68' ' ' LEU . 98.9 t -91.18 101.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -102.7 140.86 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.31 88.45 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.2 m -94.14 109.36 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.97 -108.22 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.4 p -111.35 35.33 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.3 m -139.13 109.7 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -99.61 103.85 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -105.38 144.18 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.0 tp -124.77 106.49 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.4 t -86.14 123.1 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.7 t -109.13 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -68.54 147.12 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 50.21 54.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.96 101.24 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -124.58 179.26 16.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 38.9 mm-40 -35.53 -53.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.23 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -63.12 -34.71 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.69 120.89 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.43 -134.4 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -134.78 98.98 4.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CD2' HD12 ' A' ' 51' ' ' LEU . 60.8 m-85 -84.31 133.54 34.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.3 m -124.42 111.27 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 42.7 t -84.28 92.37 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -75.27 151.44 38.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' CB ' HG11 ' A' ' 42' ' ' VAL . . . -171.08 106.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.01 -87.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.05 4.32 2.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -124.86 168.03 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -171.0 131.61 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.4 mt -94.51 155.63 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.28 147.02 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.559 ' CE2' ' HD3' ' A' ' 19' ' ' ARG . 48.5 m-85 -141.53 105.26 4.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -88.52 94.06 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -81.81 126.55 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -113.17 132.92 55.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.2 t -104.18 124.69 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.58 91.54 8.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.16 -138.8 10.46 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -174.99 145.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 9.2 m -133.88 103.1 5.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.97 132.22 52.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -120.83 -47.71 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -82.45 121.83 27.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.24 87.04 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -43.36 112.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -47.31 156.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.71 -170.77 20.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -132.83 106.09 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t -88.23 138.13 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -117.57 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -103.07 178.14 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.94 174.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -18.95 12.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -105.72 36.67 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.47 146.49 56.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.18 59.22 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.36 87.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 1.2 t60 -144.36 123.22 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.493 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mtp-105 -106.97 174.39 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -124.65 101.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.13 138.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.75 173.48 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.98 -179.44 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -107.89 167.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.47 117.66 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.16 -17.46 57.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.53 171.05 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -108.63 102.92 11.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.22 177.81 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.6 m -161.68 109.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.04 96.19 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.5 t -91.86 148.72 22.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 26.9 p -156.35 134.48 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.89 162.08 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -136.85 163.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.55 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -150.25 131.8 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -64.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.0 pt20 -35.96 -39.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -53.24 147.72 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.6 156.11 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 m -133.51 156.11 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 109.36 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CG ' HD13 ' A' ' 68' ' ' LEU . 84.5 m95 -64.08 155.87 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.2 m-85 -149.66 112.94 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.79 121.88 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 47.66 41.96 14.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.62 37.37 84.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -138.05 117.93 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 34.9 ttmt -44.12 127.57 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.448 HD12 ' CE2' ' A' ' 81' ' ' TYR . 15.4 mt -94.81 137.1 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -119.14 118.92 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 82.9 p -58.8 85.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.5 m -100.82 172.21 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 30.3 t -37.16 -39.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 7.5 mtpm? -68.65 -64.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.99 133.18 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -128.65 109.91 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.411 ' HB ' ' CD1' ' A' ' 68' ' ' LEU . 7.1 p -85.47 121.41 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -107.57 157.56 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.23 115.54 15.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 63' ' ' GLY . 16.3 m -128.26 -174.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' VAL . . . -32.26 98.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' GLY . 74.0 m 34.09 50.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.9 m -151.71 116.09 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.74 109.99 22.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -108.33 150.89 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD13 ' CG ' ' A' ' 44' ' ' TRP . 3.8 tp -125.24 96.42 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.2 103.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.4 t -95.01 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 21.7 mm-40 -74.71 150.66 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 49.16 43.86 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.71 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -123.23 176.82 16.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 74' ' ' GLY . 14.4 mp0 -33.78 -61.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.31 -39.03 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.39 120.18 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.92 -144.09 6.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -119.82 99.58 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.448 ' CE2' HD12 ' A' ' 51' ' ' LEU . 57.4 m-85 -83.72 128.31 34.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.8 m -120.6 112.8 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.35 93.14 9.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.82 150.98 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -168.08 105.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.75 -89.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.04 25.99 3.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -142.97 173.3 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -169.76 138.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.3 mt -107.52 135.75 48.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.39 134.92 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 52.1 m-85 -134.64 91.01 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -72.78 103.55 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.54 121.09 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -103.37 154.1 19.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.429 HG11 ' N ' ' A' ' 97' ' ' ALA . 95.7 t -130.22 142.94 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.429 ' N ' HG11 ' A' ' 96' ' ' VAL . . . -113.11 152.53 29.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.51 -171.04 26.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -108.43 133.32 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 51.6 t -78.9 106.03 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.66 105.96 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -105.78 150.28 25.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -61.54 95.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.56 -121.4 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -154.27 145.23 22.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 t -164.73 106.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.92 45.84 0.68 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -92.52 135.19 34.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 89.7 t -130.6 123.54 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.4 t -91.72 -39.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 92.9 m-85 -112.88 154.65 26.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.89 172.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -23.82 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -94.93 35.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' A' ' 34' ' ' GLU . 33.8 mm-40 -90.89 130.87 39.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.81 -33.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -162.97 118.32 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' N ' ' HD1' ' A' ' 18' ' ' HIS . 50.7 ttt180 -103.88 149.13 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.33 123.94 49.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.02 131.42 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -116.53 143.86 45.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.16 179.51 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -112.08 156.86 21.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.7 121.28 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.03 -12.18 70.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 174.69 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -114.1 103.76 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.96 173.55 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.0 m -158.25 110.64 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -100.58 97.05 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -94.09 152.95 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -160.71 138.55 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 38.5 mt-10 -77.31 162.43 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 6.2 m -139.54 153.43 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.11 -24.23 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -144.06 146.41 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.07 -57.11 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -44.16 -25.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.5 m -67.22 140.86 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -108.22 155.45 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -131.27 161.31 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.491 HG23 ' CZ ' ' A' ' 45' ' ' TYR . 86.4 m -139.69 107.87 5.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.487 ' CG ' HD13 ' A' ' 68' ' ' LEU . 80.1 m95 -64.69 146.49 54.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.541 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 61.6 m-85 -136.64 115.53 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 49' ' ' LYS . 7.7 tttm -97.6 131.6 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.3 t70 39.57 39.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.01 39.07 74.36 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LYS . 40.3 mttm -137.59 123.76 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 88.5 tttt -52.61 121.66 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.457 HD12 ' CD2' ' A' ' 81' ' ' TYR . 17.7 mt -86.96 145.55 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 t -130.95 114.44 15.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 p -52.68 108.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' VAL . 2.7 m -126.95 178.98 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -47.79 -21.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -89.82 -50.14 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' SER . 87.3 t -114.3 135.43 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -130.55 112.58 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 68' ' ' LEU . 7.5 p -95.65 109.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.33 152.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.27 89.72 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 m -98.4 110.09 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.03 -112.97 1.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 m -106.79 42.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.2 m -145.12 121.71 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -111.44 112.79 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -112.73 143.02 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.487 HD13 ' CG ' ' A' ' 44' ' ' TRP . 4.6 tp -119.67 98.15 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.4 111.81 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.433 ' CG1' ' OE1' ' A' ' 77' ' ' GLU . 80.0 t -103.42 104.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.31 147.78 47.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 50.26 52.09 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 98.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.65 173.9 14.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.457 ' NE2' ' H ' ' A' ' 75' ' ' GLN . 2.2 mp0 -34.29 -65.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.48 -46.21 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' OE1' ' CG1' ' A' ' 70' ' ' VAL . 6.4 mt-10 -68.69 -30.36 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 75' ' ' GLN . . . -69.51 123.96 22.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.87 -127.66 1.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.4 107.03 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CD2' HD12 ' A' ' 51' ' ' LEU . 17.8 m-85 -91.3 134.51 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.0 m -121.25 113.25 19.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.94 91.11 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.76 152.69 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -173.96 111.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.49 -88.58 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 5.8 2.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.439 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -128.06 166.36 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.496 ' C ' ' CD ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -163.52 155.07 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -122.71 147.69 46.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.48 136.63 33.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.18 90.37 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.06 120.03 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.9 tp -109.41 114.52 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.53 153.53 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.1 t -127.01 126.66 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.79 122.13 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.15 161.23 16.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -112.25 109.63 19.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 6.0 t -152.25 156.61 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -82.29 -43.43 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -97.67 93.32 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -134.55 144.23 47.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.04 -124.39 3.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -53.95 -50.67 65.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.5 p -41.99 121.76 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.11 41.17 0.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -84.8 105.87 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -93.33 132.77 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -106.22 -38.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -97.65 -176.23 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -177.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -16.71 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -106.45 36.43 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -128.0 142.37 44.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.44 23.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.72 -46.33 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.26 125.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.69 155.69 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -105.3 136.73 44.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -130.68 130.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -114.22 151.9 32.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.63 171.45 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -109.15 152.24 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 122.03 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.83 -18.91 56.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.44 169.79 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -108.21 100.94 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.15 166.36 21.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.2 m -151.83 109.0 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.6 96.73 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 t -89.48 149.57 22.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -157.24 133.88 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.75 162.03 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.71 157.26 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.44 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.87 148.34 41.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.33 -63.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 40' ' ' THR . 10.5 pt20 -40.87 -39.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 53.2 m -48.88 131.95 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -97.44 144.94 26.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.7 172.01 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.8 m -155.28 110.95 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.554 ' CD1' HD12 ' A' ' 68' ' ' LEU . 79.4 m95 -67.94 148.62 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 62.2 m-85 -139.07 118.38 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' LYS . 39.5 tttt -100.13 135.2 41.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 39.55 31.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 35.24 33.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' LYS . 37.0 pttt -130.81 140.23 50.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 32.0 tttp -67.73 108.98 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.44 168.66 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -157.83 131.61 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -55.75 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.6 p -98.97 177.3 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.1 t -47.11 -22.55 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.19 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.55 137.82 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ttm-85 -126.65 113.64 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.0 t -88.78 100.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -92.05 137.06 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 98.39 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.29 112.01 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.5 -115.79 4.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.3 42.88 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -144.56 131.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -125.2 105.42 9.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -109.08 142.44 39.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 44' ' ' TRP . 4.7 tp -116.0 105.39 12.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.1 108.6 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.8 t -98.19 101.47 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -69.9 145.71 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 53.58 47.65 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.04 104.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.67 178.49 16.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.48 -51.44 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.28 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -39.86 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.21 121.14 7.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.56 -142.28 4.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -122.45 109.91 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -99.06 126.9 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -116.73 124.04 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.6 t -95.97 97.75 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.481 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 3.1 tt0 -84.19 132.38 34.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.7 2.78 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.43 -98.09 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -103.56 17.16 51.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -149.21 154.64 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.481 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 29.5 mt-30 -146.94 123.0 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 39.6 mt -88.78 133.13 34.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.02 134.62 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -134.55 89.6 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -70.49 115.85 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.01 118.11 36.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -107.46 137.38 45.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 97' ' ' ALA . 92.9 t -111.17 139.17 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.423 ' N ' HG13 ' A' ' 96' ' ' VAL . . . -112.77 168.05 9.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.52 -156.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -155.9 152.18 27.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.763 0.316 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.61 138.87 56.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -139.51 139.44 36.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -170.62 140.33 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -131.09 120.48 23.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.59 -119.76 2.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -69.47 84.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -99.46 166.22 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.1 -160.32 8.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -138.3 143.92 40.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -112.57 131.47 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -107.06 -32.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -114.08 -177.22 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.83 -175.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -116.43 -32.21 5.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -90.01 36.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -129.67 142.41 45.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.65 67.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.48 127.65 24.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -118.38 147.31 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.76 138.25 33.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -130.14 134.72 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -117.54 153.2 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.44 171.42 20.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -107.73 154.96 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 122.4 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.63 -10.94 73.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.17 172.39 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.2 p -109.44 98.47 7.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.14 165.87 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.5 m -152.45 106.41 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.63 96.54 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -90.48 149.86 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 p -160.13 129.17 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -77.34 164.18 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.52 174.76 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -25.62 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -149.56 123.07 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.88 -26.56 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -67.21 146.71 53.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 2.6 mp0 -102.08 162.59 12.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 m -138.9 172.33 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -158.68 106.99 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CD1' HD12 ' A' ' 68' ' ' LEU . 86.1 m95 -64.52 155.95 31.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -146.75 117.92 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -101.32 118.53 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 48.74 43.41 20.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 37.84 86.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -135.28 124.55 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -56.54 112.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 81' ' ' TYR . 24.2 mt -76.2 145.02 40.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.5 t -118.51 146.96 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.807 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -84.09 87.32 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -111.29 170.82 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 t -39.42 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.9 tppt? -80.89 -62.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 58' ' ' ARG . 60.5 t -104.1 137.35 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' N ' HG12 ' A' ' 57' ' ' VAL . 41.6 ttm-85 -133.03 128.0 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 68' ' ' LEU . 91.4 t -90.91 99.51 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.6 mp0 -92.95 140.17 29.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.24 93.0 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' GLY . 0.5 OUTLIER -102.89 -175.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.3 100.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' GLY . 71.8 m 34.33 52.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -157.2 111.75 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.4 mmt-85 -101.47 108.74 20.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 25.1 ptt180 -110.62 145.1 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 44' ' ' TRP . 7.2 tp -118.66 107.74 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -89.45 113.58 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.7 t -105.51 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.81 138.2 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 61.02 44.58 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.13 99.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -114.73 176.13 16.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 74' ' ' GLY . 7.8 mp0 -34.47 -66.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.67 -54.69 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.58 -41.05 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.0 122.08 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.41 -126.29 1.01 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -136.22 110.75 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 51' ' ' LEU . 6.8 m-85 -96.78 133.73 40.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.6 m -125.16 108.93 12.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.1 t -83.72 94.97 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.6 132.76 33.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.48 12.44 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 122.38 91.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.52 -40.78 2.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -107.15 158.58 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -165.13 124.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.82 143.34 31.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.49 134.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -134.18 97.29 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -75.66 115.74 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -100.11 123.25 44.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -115.95 140.34 49.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.8 t -114.74 147.26 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.43 126.81 52.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.68 -162.6 34.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -110.66 137.6 48.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.1 p -73.91 -42.97 59.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -68.89 144.54 54.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -143.14 165.89 26.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -151.3 138.68 19.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.03 159.09 24.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -126.23 174.72 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -74.94 3.76 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.88 137.64 14.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.79 114.14 27.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.1 t -87.22 124.84 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.2 t -98.68 -41.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.517 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 63.5 m-85 -106.23 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' O ' ' CG ' ' A' ' 15' ' ' GLN . . . -68.37 144.11 54.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -28.81 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.68 31.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 31.3 mm-40 -87.44 136.45 33.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.81 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -167.91 119.03 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.521 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 12.7 mtp180 -99.47 162.7 12.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -124.41 105.01 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.42 142.16 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.82 146.47 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.86 -179.79 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -109.69 165.61 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 116.47 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.23 -13.27 68.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.68 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.3 p -122.0 96.76 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.76 171.12 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.4 m -160.56 110.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.16 99.09 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 t -91.95 153.75 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -163.98 134.19 4.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.84 162.24 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.13 143.06 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.91 41.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -151.36 130.44 12.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.22 16.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -58.74 -15.42 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 m -71.82 150.57 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.01 160.99 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 m -138.22 169.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 88.6 m -151.95 108.55 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.522 ' CD1' HD13 ' A' ' 68' ' ' LEU . 75.2 m95 -67.28 151.33 47.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 50' ' ' LYS . 96.3 m-85 -142.74 121.36 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -94.58 106.04 18.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 t70 62.52 28.63 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.54 64.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -102.82 128.76 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . 13.3 ttmm -61.93 107.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 81' ' ' TYR . 29.1 mt -75.78 142.08 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -118.56 138.73 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -72.28 103.01 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' VAL . 6.0 t -126.76 172.53 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -36.8 -38.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -77.6 -68.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . 26.1 t -90.47 129.99 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -125.71 124.75 41.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.425 HG23 ' CD1' ' A' ' 68' ' ' LEU . 88.1 t -91.13 96.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -88.6 136.54 32.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.16 90.02 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.7 -176.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -40.22 106.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 1.5 p 34.45 54.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 m -159.78 114.38 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -107.65 102.48 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -108.45 131.57 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.522 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.9 tp -108.75 101.15 10.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.71 121.1 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -107.13 95.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -67.66 137.44 55.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 60.45 54.2 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.58 110.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.35 169.58 18.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' GLY . 6.8 mm-40 -37.43 -41.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.979 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.66 -52.63 64.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -67.13 -32.01 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.453 ' CB ' HG22 ' A' ' 96' ' ' VAL . . . -57.86 125.53 23.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.27 -131.29 1.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -132.7 116.17 16.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.446 ' CD2' HD11 ' A' ' 51' ' ' LEU . 4.8 m-85 -102.29 139.11 38.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 m -126.75 118.24 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.75 91.84 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.72 153.89 28.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.517 ' HB1' ' CZ ' ' A' ' 11' ' ' PHE . . . -174.61 138.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.75 -87.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -143.63 11.29 2.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -131.05 173.06 11.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -163.86 141.74 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.8 176.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -119.11 149.21 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 91' ' ' SER . 65.4 m-85 -154.27 105.43 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -82.36 127.84 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.3 tp -113.15 120.15 40.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -107.8 154.41 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.453 HG22 ' CB ' ' A' ' 78' ' ' ALA . 89.0 t -133.21 138.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.76 90.27 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.74 -152.06 18.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.482 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -144.06 152.47 41.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.67 165.21 25.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -90.09 134.33 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 11' ' ' PHE . 62.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.845 0.355 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 85' ' ' ALA . 41.7 t -93.91 -50.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 85' ' ' ALA . 96.4 m-85 -96.86 -178.72 4.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -73.06 -178.4 2.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -14.88 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -99.71 29.42 4.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.591 ' CG ' ' HB3' ' A' ' 12' ' ' ALA . 4.7 mt-30 -106.42 138.48 19.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' HG2' ' CG ' ' A' ' 19' ' ' ARG . 54.2 Cg_endo -69.77 166.12 28.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.58 -16.09 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 2.3 t-80 -153.17 111.53 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . 14.1 mtt180 -101.31 93.09 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 10.2 mp0 -72.29 107.34 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.5 t -105.05 144.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -116.64 144.86 43.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.74 159.22 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -98.25 152.58 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.96 120.78 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.24 -6.86 81.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.97 176.79 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -112.62 107.27 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 167.75 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.2 m -156.05 111.42 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 7.4 mt -105.7 98.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -93.82 149.8 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -160.35 132.0 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.48 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 12.4 mt-10 -76.17 162.9 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.75 137.56 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.47 -22.45 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -145.93 140.67 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . . . -76.43 -60.91 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -38.26 -35.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.475 HG21 HG13 ' A' ' 10' ' ' VAL . 27.4 m -57.74 141.74 47.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -104.23 153.93 20.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.4 m -128.19 156.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -139.44 116.86 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.629 ' CD1' HD13 ' A' ' 68' ' ' LEU . 85.7 m95 -73.14 147.7 44.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 80.2 m-85 -139.02 117.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -98.78 115.19 28.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.89 31.05 20.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.36 24.07 57.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 126.82 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 39.9 tttt -56.08 112.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 44' ' ' TRP . 20.8 mt -76.85 140.44 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -118.89 141.92 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.8 p -72.03 110.17 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' LYS . 29.0 m -135.03 168.12 19.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -39.75 -27.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.5 ttmt -83.7 -63.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.46 137.66 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -126.93 121.11 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.61 94.87 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -89.67 138.38 31.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.02 90.05 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.616 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.5 m -96.91 103.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.77 -111.93 2.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 23.2 m -105.58 40.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.616 ' HB ' HG23 ' A' ' 62' ' ' VAL . 7.6 m -145.72 116.47 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.522 ' HG3' HG11 ' A' ' 42' ' ' VAL . 60.9 mmt-85 -104.14 106.45 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -110.54 133.81 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.629 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.6 tp -111.91 110.39 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.72 120.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.8 t -111.18 99.58 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -71.24 146.36 49.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 55.19 49.7 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.88 101.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -122.54 172.18 15.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' GLY . 62.4 mm-40 -36.85 -46.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.29 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' GLY . 36.7 mm-40 -75.91 -29.45 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.621 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -63.02 130.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.72 -121.77 0.85 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.29 106.28 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CD2' HD11 ' A' ' 51' ' ' LEU . 18.4 m-85 -90.39 144.02 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 m -129.68 108.35 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.19 88.81 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' HA ' ' CB ' ' A' ' 89' ' ' GLN . 13.5 tt0 -76.86 151.5 35.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.55 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . . . -169.66 110.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.87 -91.99 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.41 4.84 4.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -127.91 165.11 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.47 ' CB ' ' HA ' ' A' ' 84' ' ' GLU . 5.1 pt20 -165.87 137.28 3.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -94.61 -175.2 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 28.9 t -126.67 155.6 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 91' ' ' SER . 79.4 m-85 -158.07 106.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -86.66 104.57 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.4 tp -87.63 105.33 17.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 78' ' ' ALA . 79.5 t -111.64 126.01 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.875 0.369 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 86' ' ' GLY . 98.6 t -121.15 -25.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.1 -175.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.98 -179.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -21.48 9.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -97.67 34.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.455 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.3 pt20 -130.77 144.13 52.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 152.53 69.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.82 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.47 130.86 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -122.67 152.75 40.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -102.93 145.17 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -138.47 134.79 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -118.07 141.58 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.81 176.54 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -114.22 157.38 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.65 119.93 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.18 -13.14 67.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 173.05 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -110.87 102.4 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -69.06 170.82 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m -160.12 112.78 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 92' ' ' PHE . 9.3 mt -105.62 96.8 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -90.33 150.77 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 p -160.43 124.91 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.74 161.92 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.29 148.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -144.36 136.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.4 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -42.45 -24.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.8 m -65.97 130.71 44.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -90.43 152.57 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.0 m -127.9 174.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 m -159.99 112.95 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.669 ' CD1' HD13 ' A' ' 68' ' ' LEU . 85.7 m95 -69.77 155.18 40.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.1 m-85 -145.34 124.67 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -103.01 120.02 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 44.38 40.99 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.6 36.66 53.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -134.55 117.5 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 72.2 tttt -52.8 120.8 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 44' ' ' TRP . 15.6 mt -82.47 150.75 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 54' ' ' SER . 39.1 t -130.31 99.08 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 59' ' ' VAL . 87.7 p -40.24 93.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' SER . 3.8 m -107.84 175.22 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -40.8 -29.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -81.09 -67.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.79 134.2 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -125.31 130.19 51.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 68' ' ' LEU . 57.3 t -93.74 107.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.24 143.09 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.9 90.11 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.755 HG23 ' HB ' ' A' ' 65' ' ' THR . 2.3 m -104.85 179.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.39 104.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 58.0 m 34.29 54.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.755 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.4 m -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.588 ' HG3' HG11 ' A' ' 42' ' ' VAL . 85.0 mmt-85 -102.49 96.82 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -104.41 135.17 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.669 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.5 tp -108.77 102.57 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.77 110.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 98.9 t -100.39 104.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.89 147.78 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 47.61 50.27 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.54 104.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.5 171.7 13.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 94.1 mm-40 -36.87 -51.85 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.6 -56.26 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' HG2' ' CG1' ' A' ' 70' ' ' VAL . 25.4 mp0 -59.15 -26.82 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.692 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -68.91 120.66 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.77 -139.54 4.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -119.24 124.96 48.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -114.36 127.25 55.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -116.24 111.56 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.8 t -84.09 98.09 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -87.27 131.33 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.84 -0.89 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.407 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 141.4 86.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.94 -39.86 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -107.03 158.26 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -162.63 134.43 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.455 HD11 ' OE1' ' A' ' 15' ' ' GLN . 12.0 mt -87.8 142.28 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.93 138.35 31.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' HB3' HD22 ' A' ' 31' ' ' LEU . 59.0 m-85 -139.44 106.27 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -84.55 106.98 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 tp -93.84 125.55 38.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -114.37 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.692 HG23 ' HB2' ' A' ' 78' ' ' ALA . 87.4 t -129.57 154.6 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' HG12 ' A' ' 96' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 59.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.882 0.372 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 85' ' ' ALA . 5.7 t -108.01 -41.97 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 73.5 m-85 -103.47 175.51 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.781 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -64.2 143.54 57.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.44 70.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.68 29.56 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.781 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -80.65 137.89 51.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.531 ' HD2' HE21 ' A' ' 15' ' ' GLN . 53.4 Cg_endo -69.84 112.13 3.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.74 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -144.02 127.07 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -117.85 97.75 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.6 102.23 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.28 154.1 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -131.93 161.28 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.8 162.26 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -100.76 152.5 20.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 119.35 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 -10.92 73.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.81 -176.42 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.6 p -122.56 103.22 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.73 176.44 5.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.8 m -159.69 110.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 mt -100.97 97.2 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -90.3 151.92 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.94 122.47 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.66 164.57 21.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.19 141.4 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -16.93 62.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -148.3 151.12 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.51 -59.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -42.58 -35.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.5 m -55.52 134.92 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -101.24 152.82 20.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 85' ' ' ALA . 5.8 m -125.91 156.92 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 79.7 m -136.82 107.85 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.636 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.2 m95 -63.64 153.84 34.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -143.38 132.7 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.673 ' HB2' HD21 ' A' ' 51' ' ' LEU . 50.3 tttm -116.18 108.38 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 59.68 40.66 19.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.1 38.91 84.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -140.96 121.55 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -52.28 119.73 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.673 HD21 ' HB2' ' A' ' 46' ' ' LYS . 10.5 mt -83.05 152.93 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -120.73 148.9 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 p -89.54 113.78 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -142.15 178.64 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -40.7 -38.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -71.45 -70.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.8 t -94.09 134.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -125.08 119.79 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.733 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.9 t -94.18 111.76 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -107.4 146.44 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.12 93.49 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.73 HG23 ' HB ' ' A' ' 65' ' ' THR . 27.8 m -102.23 106.36 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.31 -106.58 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.9 m -112.15 39.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.73 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.7 m -139.04 114.99 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -105.43 102.31 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -108.0 148.22 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.733 ' CD1' HG22 ' A' ' 59' ' ' VAL . 6.3 tp -126.36 101.35 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.45 122.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 77' ' ' GLU . 85.7 t -108.15 95.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -64.68 138.06 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 58.77 54.25 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.27 100.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.51 ' C ' HG21 ' A' ' 96' ' ' VAL . . . -122.68 179.73 16.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -41.8 -37.35 1.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -54.83 22.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.624 ' HB3' HG11 ' A' ' 70' ' ' VAL . 8.3 mp0 -64.63 -24.85 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.762 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -66.92 121.14 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.69 -144.79 6.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -121.94 110.43 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -97.78 126.53 43.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.7 m -115.95 111.59 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -80.21 92.96 5.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -79.79 154.36 28.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.537 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -168.42 116.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.45 -85.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.22 4.34 3.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 9' ' ' VAL . 48.1 mt-30 -123.98 163.1 22.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.733 0.301 . . . . 0.0 110.901 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -161.51 138.03 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -100.41 174.5 6.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.53 141.75 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -145.82 109.75 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -89.33 129.17 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.0 tp -113.97 115.5 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -105.33 141.78 36.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.762 HG23 ' HB2' ' A' ' 78' ' ' ALA . 69.9 t -109.62 134.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 11' ' ' PHE . 60.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.867 0.365 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 84.1 t -94.33 -35.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 79.6 m-85 -100.48 -175.15 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -175.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.97 -16.94 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -101.88 28.93 5.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -122.94 146.4 48.41 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 159.92 51.66 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.54 71.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -143.21 127.7 17.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 82.3 mtt180 -107.46 155.27 20.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.74 115.85 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.27 136.8 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -119.53 141.89 48.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.31 173.85 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -107.37 166.76 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.34 116.31 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.67 66.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.73 169.13 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -104.06 102.03 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.69 174.53 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 m -160.66 114.15 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.14 97.51 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -91.65 152.52 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -160.28 125.49 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -72.8 163.66 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.28 167.14 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 11' ' ' PHE . . . -85.78 -26.25 25.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.81 128.6 15.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.74 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -54.39 -22.53 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.9 m -78.3 151.05 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -109.58 155.45 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.593 HG12 ' HB2' ' A' ' 85' ' ' ALA . 5.7 m -129.28 155.03 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 m -132.88 115.07 14.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.0 m95 -70.71 149.19 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -143.54 113.9 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' LYS . 29.9 tttm -99.01 136.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 t70 40.15 32.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.49 38.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' LYS . 12.2 ptpt -129.7 139.2 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -71.48 106.95 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' A' ' 44' ' ' TRP . 11.8 mt -73.67 159.62 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -139.75 130.82 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.1 t -64.48 104.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' VAL . 8.1 t -127.23 169.45 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -37.95 -34.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -77.43 -60.08 2.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.2 t -105.67 129.11 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -119.33 124.1 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.682 HG22 ' CD1' ' A' ' 68' ' ' LEU . 90.5 t -93.49 100.59 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.19 139.75 30.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.82 85.29 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.78 HG23 ' HB ' ' A' ' 65' ' ' THR . 2.5 m -90.83 -176.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.66 104.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.0 m 38.35 53.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.78 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.1 m -159.99 118.54 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -110.04 105.75 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -110.87 132.45 54.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.682 ' CD1' HG22 ' A' ' 59' ' ' VAL . 4.7 tp -108.77 105.36 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 t -87.08 114.22 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.55 97.84 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -70.28 141.87 52.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 58.9 47.82 11.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.42 110.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.42 172.6 18.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 31.1 mm-40 -34.68 -57.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.84 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -64.21 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.584 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -67.56 123.37 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.4 -128.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.25 113.64 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -98.44 129.63 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -123.28 110.8 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.1 t -86.88 93.61 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -73.68 154.97 39.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.673 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.97 110.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.88 -90.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.9 20.75 3.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -143.18 171.63 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -166.44 131.16 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.46 147.89 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.69 151.51 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 60.2 m-85 -152.56 111.65 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -87.72 121.82 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.44 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 37.1 tp -106.5 103.31 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.418 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 69.2 mt-30 -91.06 131.36 36.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.584 HG23 ' HB2' ' A' ' 78' ' ' ALA . 91.1 t -113.84 127.05 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.872 0.368 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.645 HG21 ' O ' ' A' ' 85' ' ' ALA . 97.9 t -105.97 -46.52 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -101.77 176.89 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.959 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -51.89 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -103.61 -18.52 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.88 21.39 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.959 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -66.13 136.68 95.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.529 ' HD2' HE21 ' A' ' 15' ' ' GLN . 53.7 Cg_endo -69.77 113.19 3.29 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.1 -38.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.476 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -157.48 117.66 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -102.7 149.37 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -107.45 126.89 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.36 138.41 50.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -120.58 155.46 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.82 172.97 15.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -107.44 161.99 14.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.47 118.37 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -13.87 65.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.17 -175.72 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -120.46 106.14 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.86 176.8 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.6 m -161.05 107.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.5 98.28 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -89.65 158.64 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -170.89 131.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -76.6 169.56 18.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -144.84 143.8 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.35 -18.02 47.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -150.5 151.4 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.77 -56.93 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -46.63 -27.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -57.85 150.51 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.34 149.05 38.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.542 HG12 ' HB2' ' A' ' 85' ' ' ALA . 4.4 m -129.67 152.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 69.6 m -131.7 109.8 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CD1' HD13 ' A' ' 68' ' ' LEU . 87.8 m95 -64.36 153.88 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 91.4 m-85 -147.62 120.86 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -99.06 102.77 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t0 66.0 33.71 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.93 71.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -111.79 120.47 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.8 tttm -57.71 113.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.453 HD12 ' HB3' ' A' ' 44' ' ' TRP . 32.1 mt -78.05 150.42 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 t -126.68 138.33 53.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.7 p -68.4 130.31 42.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -158.98 171.27 20.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 m -43.33 -26.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -81.04 -68.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.02 139.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -128.24 121.19 28.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.49 95.45 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 7.8 mt-10 -88.35 135.6 33.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.67 102.36 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.778 HG23 ' HB ' ' A' ' 65' ' ' THR . 30.5 m -112.77 108.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.6 -105.93 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.91 27.95 9.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.778 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.5 m -129.22 119.83 24.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.8 mmt-85 -112.02 106.24 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.6 ptm180 -109.95 145.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.605 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.6 tp -122.16 103.43 8.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -83.87 121.14 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.404 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 90.1 t -108.91 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -69.48 138.47 53.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 62.04 44.72 7.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.0 106.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -130.31 173.12 20.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 97.0 mm-40 -34.43 -53.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.63 -52.45 13.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 62.1 mm-40 -69.46 -32.41 71.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.78 127.84 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.78 -119.63 0.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -147.15 109.32 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.05 139.53 31.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 m -128.98 110.2 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.94 98.31 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.93 152.72 23.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.645 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -175.03 112.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.76 -94.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.24 12.49 3.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -135.8 169.71 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -166.93 135.4 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -92.71 176.1 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.6 141.77 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -143.94 105.17 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.17 119.62 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.1 tp -102.04 112.11 24.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -103.55 141.57 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 97' ' ' ALA . 64.7 t -121.68 136.55 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 96' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.916 0.388 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.874 HG21 ' HA3' ' A' ' 86' ' ' GLY . 59.6 t -109.56 -35.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.719 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 32.3 m-85 -100.68 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.11 179.99 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.83 -20.68 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -96.29 30.22 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' OE1' HD21 ' A' ' 90' ' ' LEU . 4.1 pt20 -124.82 139.82 34.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.55 0.691 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 140.83 43.7 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.46 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.94 127.08 37.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -111.96 139.74 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -96.67 131.94 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.2 140.93 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 23' ' ' ALA . 37.4 tt0 -120.62 156.26 32.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 22' ' ' GLN . . . -163.72 167.69 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -99.57 168.78 9.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -76.35 120.78 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 -5.16 69.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.18 -176.39 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -116.64 95.06 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -65.75 171.91 3.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.3 m -159.72 120.47 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -112.93 99.21 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -94.65 148.82 21.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.97 119.06 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -64.73 160.46 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -136.86 152.21 28.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -75.95 -15.62 60.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -152.19 126.15 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . . . -69.92 -33.19 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.2 -15.85 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -81.18 138.54 35.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.99 153.21 18.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.567 HG12 ' HB2' ' A' ' 85' ' ' ALA . 2.9 m -128.96 157.79 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.4 m -138.48 111.11 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CD1' HD13 ' A' ' 68' ' ' LEU . 89.1 m95 -67.09 154.88 40.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.412 ' CE2' ' OE1' ' A' ' 84' ' ' GLU . 76.6 m-85 -145.12 122.83 11.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HB2' HD21 ' A' ' 51' ' ' LEU . 44.3 tttm -104.73 123.3 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 49.09 40.07 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.6 34.37 67.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -133.83 137.53 45.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -65.93 122.79 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 46' ' ' LYS . 23.8 mt -89.0 145.67 25.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.2 t -118.34 149.85 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 p -83.05 105.01 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -129.78 173.69 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.6 p -42.51 -27.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -82.12 -69.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.6 t -92.42 138.65 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -129.21 119.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 68' ' ' LEU . 88.6 t -92.1 99.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -91.91 142.71 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.54 101.71 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.795 HG23 ' HB ' ' A' ' 65' ' ' THR . 11.7 m -116.09 -176.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.95 102.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' GLY . 84.8 m 34.3 50.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.795 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.4 m -152.45 116.21 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -109.72 104.84 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -107.69 144.2 35.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.4 tp -120.41 101.27 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -82.5 114.59 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 97.7 t -102.31 102.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -72.91 143.5 47.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 54.58 52.64 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.22 106.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -122.55 174.38 16.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' GLY . 89.9 mm-40 -37.88 -50.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.67 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -63.91 -34.12 77.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -61.71 119.83 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.01 -130.34 1.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -136.59 116.46 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.32 130.34 47.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 m -117.04 110.43 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.3 t -83.37 86.94 6.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' OE1' ' CE2' ' A' ' 45' ' ' TYR . 24.7 tt0 -69.44 139.61 54.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.719 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.64 116.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.874 ' HA3' HG21 ' A' ' 10' ' ' VAL . . . 62.96 42.17 99.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.84 -22.61 5.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -89.1 -179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.93 126.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.417 HD21 ' OE1' ' A' ' 15' ' ' GLN . 12.6 mt -96.71 134.08 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.93 146.42 28.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -148.1 105.68 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 130.96 35.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.4 tp -114.81 114.36 25.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -102.48 130.61 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 78' ' ' ALA . 60.3 t -111.36 137.22 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 67.3 t -105.13 -37.97 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 27.4 m-85 -97.91 -176.02 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.16 176.77 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -21.71 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.61 39.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.438 ' OE1' HD11 ' A' ' 90' ' ' LEU . 2.9 pt20 -130.9 142.48 45.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HG2' ' CG ' ' A' ' 19' ' ' ARG . 53.5 Cg_endo -69.84 154.46 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.22 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -143.52 131.23 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.526 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 41.5 mtt180 -112.95 158.1 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -111.42 124.56 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 t -124.47 143.6 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -130.82 172.7 11.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' GLN . . . -174.65 179.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -111.43 153.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.55 118.84 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.58 -27.05 20.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 173.17 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -111.78 110.01 20.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.3 178.51 7.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.5 m -161.61 113.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 92' ' ' PHE . 13.6 mt -102.65 97.66 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -92.95 147.46 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 21.6 p -154.36 131.18 10.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.55 160.59 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.2 156.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -79.48 -19.67 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -138.03 174.24 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.9 -56.78 2.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -56.44 -14.62 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -72.04 129.12 37.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.86 155.65 16.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 85' ' ' ALA . 4.3 m -129.1 155.14 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 74.6 m -131.84 103.58 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CD1' HD13 ' A' ' 68' ' ' LEU . 94.6 m95 -59.29 155.92 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.1 m-85 -148.87 113.95 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HD2' ' CZ ' ' A' ' 81' ' ' TYR . 19.4 tttm -92.85 129.42 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 25.6 t70 40.64 37.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.1 36.83 44.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' LYS . 18.8 mtpt -133.28 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -68.49 122.2 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' ' 44' ' ' TRP . 10.5 mt -87.51 157.05 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -132.58 122.15 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -59.95 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' SER . 18.9 m -119.45 164.64 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -35.85 -34.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 54' ' ' SER . 45.0 tttt -74.37 -58.42 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -109.23 134.22 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -124.18 132.17 53.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.8 t -93.41 92.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -87.38 135.92 33.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.13 89.71 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.529 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.4 m -95.65 115.54 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.75 -115.73 2.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.4 m -102.33 37.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.529 ' HB ' HG23 ' A' ' 62' ' ' VAL . 15.5 m -142.98 128.83 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -115.98 110.54 19.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -109.61 147.84 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.9 tp -123.62 101.36 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.95 118.05 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 75.4 t -106.82 99.52 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -71.65 142.56 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 57.48 48.88 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.0 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -117.03 173.0 14.49 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 9.2 mm-40 -34.34 -54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.68 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.441 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 9.1 mm-40 -56.58 -39.42 73.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.735 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.48 131.73 51.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.41 -138.15 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.461 ' CG ' ' HG3' ' A' ' 93' ' ' ARG . 34.3 mt-10 -131.43 108.67 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 23.0 m-85 -89.66 157.38 18.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.0 m -140.51 113.64 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 47.2 t -89.51 97.15 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.3 tt0 -79.47 149.45 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.455 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -171.66 111.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.83 -82.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.95 25.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -139.55 146.86 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.497 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 17.9 mt-30 -139.47 126.62 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 ' OE1' ' A' ' 15' ' ' GLN . 15.6 mt -101.68 133.78 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.15 134.12 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CE1' ' HD2' ' A' ' 19' ' ' ARG . 59.0 m-85 -135.03 90.17 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.461 ' HG3' ' CG ' ' A' ' 80' ' ' GLU . 2.8 ttt85 -72.71 129.63 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.1 tp -113.64 127.48 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 51.7 mt-30 -113.54 132.66 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.735 HG23 ' HB2' ' A' ' 78' ' ' ALA . 84.3 t -109.3 133.25 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.2 t -101.22 -36.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.23 168.22 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.904 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -54.27 152.34 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -69.58 -34.13 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 23.41 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.904 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -72.9 138.55 79.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.559 0.695 . . . . 0.0 110.955 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.57 ' HD2' HE21 ' A' ' 15' ' ' GLN . 54.4 Cg_endo -69.74 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.85 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -154.13 112.25 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 4.6 mtp85 -86.7 167.2 14.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -131.58 102.4 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.488 HG21 ' CD2' ' A' ' 31' ' ' LEU . 85.8 t -98.72 148.47 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -133.52 140.78 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.96 -179.71 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.36 152.09 36.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.77 117.03 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.44 -7.93 71.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -176.98 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 t -116.84 111.89 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.597 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -81.61 173.22 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -161.05 115.5 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' CD2' HG21 ' A' ' 21' ' ' VAL . 10.5 mt -109.59 97.41 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.5 t -90.39 150.62 21.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -160.77 125.12 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.66 167.0 17.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.31 132.83 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.53 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -140.72 142.9 34.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 -54.09 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -45.7 -33.0 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -59.76 137.53 58.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -97.71 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.87 155.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 94.3 m -137.29 109.5 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' CD1' HD13 ' A' ' 68' ' ' LEU . 90.9 m95 -63.96 152.71 39.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 43' ' ' THR . 62.8 m-85 -142.19 115.94 9.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HB2' HD11 ' A' ' 51' ' ' LEU . 42.3 tttt -98.97 112.89 24.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 t0 56.67 41.01 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.68 71.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -134.82 130.02 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -59.72 123.78 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 46' ' ' LYS . 20.1 mt -91.23 146.05 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -121.56 142.89 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 109.58 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -134.21 166.41 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 m -43.64 -25.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -85.53 -51.8 6.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.9 t -111.43 132.61 59.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -123.75 121.81 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.608 HG22 ' CD1' ' A' ' 68' ' ' LEU . 89.4 t -92.49 95.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -89.69 135.9 33.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.39 89.73 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.551 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.4 m -99.64 122.57 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.46 -107.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 82.8 m -111.65 45.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 62' ' ' VAL . 4.0 m -149.81 112.97 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -104.81 101.49 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -104.81 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.662 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.2 tp -123.67 102.22 7.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.7 t -81.77 119.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.597 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 72.3 t -102.71 93.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -65.86 143.5 57.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 51.72 50.48 18.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.99 104.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.16 171.41 14.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.449 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -41.97 -36.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.929 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.54 77.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -19.18 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.678 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -71.11 130.17 40.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.04 -115.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -154.41 107.76 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -94.54 135.21 36.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -124.63 117.28 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.05 93.98 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -80.61 152.96 28.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.09 107.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.08 -91.02 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.61 5.4 3.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -126.83 166.5 17.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -168.16 128.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.08 175.38 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.49 143.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -142.8 106.17 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -83.97 111.26 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.4 tp -96.7 113.67 25.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -99.59 148.11 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.678 HG23 ' HB2' ' A' ' 78' ' ' ALA . 96.2 t -127.5 127.0 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.3 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.844 0.354 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.412 HG13 HG21 ' A' ' 40' ' ' THR . 45.8 t -115.14 -31.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 65.4 m-85 -110.73 172.63 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -63.51 144.47 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.86 35.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.591 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 1.6 mm100 -87.75 133.15 38.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' ALA . 54.3 Cg_endo -69.7 109.0 2.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -35.39 -37.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.01 118.0 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -103.04 160.28 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -120.61 127.25 51.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.8 t -119.99 137.86 52.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -118.53 148.55 42.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.12 171.03 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.87 160.24 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 119.26 10.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.02 -13.14 65.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.15 -177.11 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -120.67 100.49 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -67.7 167.4 13.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.622 HG21 HH21 ' A' ' 67' ' ' ARG . 49.0 m -157.38 111.89 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -103.06 97.07 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -92.34 145.53 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -154.06 130.36 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.6 162.04 29.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.5 143.99 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.98 -27.57 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -141.24 136.23 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.85 -49.1 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.6 -28.48 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.412 HG21 HG13 ' A' ' 10' ' ' VAL . 7.4 m -64.86 143.85 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -104.79 146.34 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.558 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.3 m -123.77 151.78 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.7 m -132.03 119.96 21.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.567 ' CD1' HD13 ' A' ' 68' ' ' LEU . 87.9 m95 -74.59 156.68 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.496 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 78.1 m-85 -148.7 114.89 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.639 ' HB2' HD11 ' A' ' 51' ' ' LEU . 23.6 tttm -98.6 120.82 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 50.1 44.53 25.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.89 40.05 97.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -138.3 122.83 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 60.5 tttm -51.28 118.86 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 46' ' ' LYS . 28.7 mt -87.94 136.11 33.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' SER . 30.8 t -120.84 109.05 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.4 p -38.87 97.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.3 p -105.11 171.46 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.0 m -46.16 -22.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.27 -47.0 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -108.95 132.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -124.18 129.24 50.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.531 HG22 ' CD1' ' A' ' 68' ' ' LEU . 60.1 t -95.12 102.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.4 mp0 -90.5 156.41 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.6 107.4 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.797 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.6 m -120.55 -176.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.21 104.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLY . 94.8 m 34.35 48.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.797 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.5 m -151.43 125.53 9.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 84.7 mmt-85 -119.1 114.94 23.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.622 HH21 HG21 ' A' ' 30' ' ' THR . 9.2 ptm180 -118.51 142.29 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.7 tp -116.04 101.8 9.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.4 t -82.14 123.6 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 40.9 t -113.4 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -66.65 148.92 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 47.04 51.59 12.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 103.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.28 170.14 13.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 41.1 mm-40 -37.37 -49.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.48 46.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.78 -27.77 69.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.538 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -63.9 122.49 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.38 -151.1 10.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -115.54 106.46 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -93.52 133.45 36.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.7 m -117.86 124.03 47.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 97.01 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -83.75 157.04 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.558 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -174.66 111.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.3 -89.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.39 10.13 3.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -132.53 165.74 23.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 89' ' ' GLN . 2.4 pp0? -160.1 156.27 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.26 174.58 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.32 138.03 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -141.83 106.45 4.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -83.91 127.62 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 tp -111.82 106.66 15.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -98.78 135.93 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 78' ' ' ALA . 98.9 t -116.56 127.1 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.83 0.348 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -100.02 -41.26 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 85' ' ' ALA . 74.2 m-85 -105.15 -178.66 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -62.46 175.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.95 -20.26 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -99.27 31.76 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.545 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.3 pt20 -127.54 143.22 46.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 146.59 61.15 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.26 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.46 128.41 37.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -113.24 143.49 44.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -93.14 142.23 27.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 31' ' ' LEU . 91.8 t -135.28 148.28 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -134.79 153.48 52.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.18 170.73 21.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 126.29 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.64 -19.34 41.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 171.71 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -109.12 106.69 16.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.53 168.03 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.3 m -154.3 118.58 4.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 21' ' ' VAL . 19.5 mt -108.83 96.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -91.62 146.27 23.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 27.3 p -154.89 134.92 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -80.98 160.82 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.81 160.26 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.44 -27.46 34.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -134.59 156.19 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.84 -63.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -45.11 -25.05 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.7 m -62.99 117.28 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.02 153.51 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.35 163.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.6 m -147.99 106.11 3.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.565 ' CD1' HD13 ' A' ' 68' ' ' LEU . 88.2 m95 -60.3 153.93 21.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.0 m-85 -147.79 117.42 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.498 ' HB2' HD21 ' A' ' 51' ' ' LEU . 39.6 tttp -98.65 133.59 42.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 41.1 40.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.32 39.69 87.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -138.3 142.77 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -68.09 118.97 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 46' ' ' LYS . 10.5 mt -83.75 159.23 21.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.2 t -121.07 152.79 38.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.9 p -98.21 83.63 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 55' ' ' SER . 2.1 t -112.71 168.43 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.1 m -34.68 -40.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.39 -64.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.21 134.02 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.65 124.23 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -89.85 98.95 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 27.3 mm-40 -95.1 143.06 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.72 92.21 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.624 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.0 m -97.58 109.19 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.6 -114.31 2.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.0 m -102.6 39.38 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.624 ' HB ' HG23 ' A' ' 62' ' ' VAL . 17.6 m -145.84 129.12 16.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 mmt-85 -115.36 112.92 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.407 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 28.5 ptt180 -110.86 145.66 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -122.6 103.06 8.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.7 119.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 95.6 t -109.0 100.35 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.43 147.77 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 49.63 46.09 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 112.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -125.77 -179.25 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' GLY . 15.4 mp0 -35.08 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.78 -49.28 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.452 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 26.5 mm-40 -60.02 -34.96 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -66.22 124.72 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.28 -127.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -138.77 127.13 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 14.7 m-85 -108.9 137.29 47.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 45' ' ' TYR . 16.1 m -124.41 117.89 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.04 97.04 10.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.6 tt0 -85.43 127.43 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . . . -133.44 10.4 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.46 78.78 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.96 -40.37 2.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.416 ' C ' ' HG3' ' A' ' 89' ' ' GLN . 27.5 mt-30 -94.42 140.94 29.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.494 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 24.2 mt-30 -146.56 123.85 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.545 HD11 ' OE1' ' A' ' 15' ' ' GLN . 22.4 mt -93.41 125.87 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.72 135.35 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 57.1 m-85 -134.97 95.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.446 ' NE ' ' HG3' ' A' ' 95' ' ' GLN . 1.7 tmm_? -72.4 122.49 21.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.9 tp -110.24 117.74 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.446 ' HG3' ' NE ' ' A' ' 93' ' ' ARG . 49.8 mt-30 -107.06 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.1 t -109.54 138.21 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.909 0.385 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.79 HG11 ' HB3' ' A' ' 85' ' ' ALA . 21.3 t -106.45 -33.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.72 165.03 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -50.28 169.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -25.45 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -95.17 32.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.58 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 1.1 mm100 -88.67 137.46 30.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.68 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.36 -30.29 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 29.4 t-80 -147.37 105.21 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -101.36 93.86 5.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.578 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 13.7 mt-10 -75.98 111.35 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.5 t -106.06 133.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -106.34 152.66 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.21 176.68 12.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -113.44 151.72 31.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.32 116.04 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.03 -17.92 56.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.05 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 m -117.03 98.61 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 176.64 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -162.06 112.85 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -104.71 96.89 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -92.38 158.05 16.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 p -171.71 131.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.11 165.62 23.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 4.4 m -140.18 145.27 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.5 -19.28 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -153.73 141.88 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -71.94 -68.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' ALA . 8.4 tt0 -34.43 -43.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -41.91 133.46 2.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 147.11 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.666 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.4 m -124.99 167.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m -154.48 109.32 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CD1' HD13 ' A' ' 68' ' ' LEU . 77.3 m95 -68.82 148.87 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 65.5 m-85 -137.65 124.87 21.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -104.03 124.05 48.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 43.66 41.36 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.78 38.5 56.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -136.41 132.58 35.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.9 tttt -61.61 115.91 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -81.49 147.25 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -126.21 147.72 49.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -78.78 74.41 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' SER . 3.4 p -87.93 167.94 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 6.0 t -37.51 -34.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -81.94 -61.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.52 129.63 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -128.4 114.69 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.5 t -87.49 108.47 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -100.54 138.25 37.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 97.1 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.848 HG23 ' HB ' ' A' ' 65' ' ' THR . 16.4 m -109.17 -175.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.51 102.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 89.5 m 33.77 46.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.848 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.0 m -147.07 118.82 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.666 ' HG3' HG11 ' A' ' 42' ' ' VAL . 75.1 mmt-85 -109.41 104.24 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -109.23 135.23 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.792 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.1 tp -112.2 104.35 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.6 t -86.62 109.31 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.05 93.06 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.97 133.21 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.83 54.22 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.49 106.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.24 167.83 12.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' GLY . 68.4 mm-40 -34.88 -46.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.03 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.8 mm-40 -61.4 -39.74 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.561 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.08 128.7 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.71 -120.09 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -141.72 114.25 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -101.25 135.55 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -124.23 114.83 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.8 t -88.89 98.54 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -91.5 128.37 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.79 ' HB3' HG11 ' A' ' 10' ' ' VAL . . . -122.67 10.41 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.531 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 122.51 92.73 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.19 -41.11 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -108.19 149.49 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -161.89 126.35 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.7 mt -83.57 163.86 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.9 146.12 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -143.13 110.39 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -86.7 106.77 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.1 tp -95.42 126.28 40.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -120.07 134.43 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 78' ' ' ALA . 79.6 t -107.64 133.29 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.845 0.355 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.614 HG21 ' O ' ' A' ' 85' ' ' ALA . 60.2 t -104.37 -39.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 61.9 m-85 -104.8 170.52 7.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -57.27 171.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -33.02 16.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -92.19 29.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.832 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -77.06 131.86 71.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.496 ' HG3' ' NE ' ' A' ' 19' ' ' ARG . 53.9 Cg_endo -69.79 112.47 3.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.18 -29.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 4.4 t-80 -147.08 139.83 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 16.9 mtt-85 -126.7 90.25 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 2.0 mp0 -66.08 107.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.2 143.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -116.16 159.12 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.12 170.59 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -114.57 152.14 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -56.66 116.7 3.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -6.64 66.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.02 173.83 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.9 p -112.11 99.37 8.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.43 172.4 6.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.9 m -160.97 109.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 mt -102.71 97.13 7.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -92.9 151.85 19.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.3 p -158.86 132.68 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.1 159.88 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.1 131.43 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.42 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -149.9 136.38 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -72.88 -63.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 29.8 pt20 -35.59 -36.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.483 HG21 HG13 ' A' ' 10' ' ' VAL . 98.8 m -53.27 150.17 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -109.16 153.44 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.88 162.02 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.2 m -143.98 108.44 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.621 ' CD1' HD13 ' A' ' 68' ' ' LEU . 90.2 m95 -65.12 150.33 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 60.4 m-85 -140.07 116.98 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.678 ' HB2' HD21 ' A' ' 51' ' ' LEU . 41.0 tttm -92.83 127.09 38.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.28 42.88 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.26 36.58 70.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -138.33 131.01 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 57.4 tttt -58.48 120.02 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.678 HD21 ' HB2' ' A' ' 46' ' ' LYS . 11.1 mt -82.91 175.35 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -151.72 126.55 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 94.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' SER . 24.2 p -110.7 167.45 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.9 m -36.02 -35.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 77' ' ' GLU . 26.0 ttmt -80.92 -65.63 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.29 131.63 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -126.28 121.96 34.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG22 ' CD1' ' A' ' 68' ' ' LEU . 61.7 t -92.02 103.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 7.6 mt-10 -98.07 138.78 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.87 90.5 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.74 HG23 ' HB ' ' A' ' 65' ' ' THR . 1.6 m -96.99 -179.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -36.04 107.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 42.7 m 34.09 47.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.74 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.2 m -153.52 121.07 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 72.9 mmt-85 -110.79 108.96 18.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 9.9 ptm180 -111.28 144.37 40.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.621 HD13 ' CD1' ' A' ' 44' ' ' TRP . 4.9 tp -118.47 98.31 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.6 t -80.91 115.97 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -105.59 102.07 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -71.1 146.55 49.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 48.62 50.86 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 102.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.73 171.62 13.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 10.2 mm-40 -35.14 -53.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.87 -57.89 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 3.8 mm-40 -55.49 -38.95 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -53.16 132.44 38.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.71 -141.37 6.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.39 105.0 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -84.09 161.25 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' TYR . 20.3 m -143.55 110.49 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 53.0 t -86.96 94.79 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -81.85 155.31 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.614 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -174.62 110.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.88 -95.27 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.59 27.35 3.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -147.64 166.66 26.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -166.44 125.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 mt -95.43 154.0 17.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.525 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 29.2 t -97.1 155.65 16.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 47.0 m-85 -154.73 105.33 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -85.92 132.87 33.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.9 tp -116.02 114.69 24.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -99.94 144.84 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 78' ' ' ALA . 61.5 t -128.51 134.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 69.6 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.893 0.378 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 86' ' ' GLY . 15.4 t -107.99 -30.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 85.6 m-85 -114.91 162.39 16.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -48.44 166.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.126 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -21.44 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.6 46.16 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.642 ' OE1' HD11 ' A' ' 90' ' ' LEU . 15.2 mt-30 -115.52 142.26 28.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 146.65 60.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.1 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -149.41 117.85 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -97.26 149.84 21.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -112.5 103.2 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.53 HG21 ' CD2' ' A' ' 31' ' ' LEU . 97.0 t -93.29 137.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.47 141.08 52.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.85 -175.84 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -120.57 157.37 29.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 117.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -30.0 11.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.5 -176.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -129.04 102.47 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.55 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -154.07 108.23 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.53 ' CD2' HG21 ' A' ' 21' ' ' VAL . 6.0 mt -95.9 98.18 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -89.02 159.54 17.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -173.12 134.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.12 171.7 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.49 141.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.72 -15.34 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -158.52 138.59 12.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.87 -53.7 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -42.2 -30.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -63.67 131.83 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.16 149.05 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.2 m -123.11 174.49 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.9 m -161.24 105.7 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.716 ' CD1' HD13 ' A' ' 68' ' ' LEU . 79.3 m95 -64.24 149.67 47.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 55.9 m-85 -138.62 121.16 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HB2' HD21 ' A' ' 51' ' ' LEU . 31.6 tttm -105.3 120.93 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 47.63 44.99 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.08 40.84 97.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -139.76 121.3 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 30.0 ttmt -54.23 105.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 46' ' ' LYS . 27.2 mt -66.31 142.43 57.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -113.47 129.0 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 p -67.47 96.36 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -126.53 170.61 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -37.84 -36.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -70.03 -62.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.409 ' CG1' HD11 ' A' ' 68' ' ' LEU . 54.0 t -106.07 131.23 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttm-85 -118.62 115.84 25.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.5 t -83.64 93.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 18.2 mm-40 -85.89 136.27 33.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.91 100.23 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.828 HG23 ' HB ' ' A' ' 65' ' ' THR . 6.1 m -113.07 -179.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.81 108.93 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 63' ' ' GLY . 15.8 p 33.61 47.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.391 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.828 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.1 m -153.49 121.64 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.56 ' HG3' HG11 ' A' ' 42' ' ' VAL . 78.5 mmt-85 -117.36 108.16 15.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.9 ptm180 -111.15 143.12 42.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.716 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.8 tp -118.88 103.84 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.1 t -83.15 117.37 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.3 t -102.7 92.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -65.97 140.9 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 57.27 49.42 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.96 100.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.49 173.43 14.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -38.11 -54.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.18 -42.94 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.37 -33.91 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.71 121.07 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.23 -137.52 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.433 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -128.87 105.11 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -91.88 126.14 36.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.425 ' HB3' ' CD ' ' A' ' 89' ' ' GLN . 25.5 m -116.34 125.67 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.1 t -96.08 102.09 13.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -93.87 134.91 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' HG11 ' A' ' 10' ' ' VAL . . . -131.84 -0.67 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.545 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 139.67 83.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.58 -38.24 2.29 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -103.73 154.7 19.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.449 ' C ' ' OE1' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -171.43 137.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.642 HD11 ' OE1' ' A' ' 15' ' ' GLN . 12.7 mt -94.97 168.85 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.03 136.38 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -133.61 88.11 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' VAL . 11.2 tpp85 -65.76 115.4 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.2 tp -101.09 115.18 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -105.25 146.58 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.8 t -124.57 131.29 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 56.1 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.7 HG21 ' O ' ' A' ' 85' ' ' ALA . 97.8 t -97.31 -40.49 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 47.2 m-85 -104.99 163.17 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.21 175.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -17.91 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -99.01 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.546 ' OE1' HD11 ' A' ' 90' ' ' LEU . 13.6 mt-30 -121.47 134.85 24.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.554 0.692 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' HIS . 53.8 Cg_endo -69.77 128.43 16.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.06 -25.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -160.01 121.77 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -103.37 144.44 31.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.58 134.75 45.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.7 t -131.97 133.57 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -117.67 148.86 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.09 174.8 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -106.41 156.6 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 120.03 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.64 -13.83 66.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.46 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -117.51 109.4 16.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.9 176.85 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -164.79 105.47 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.85 97.4 9.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -92.25 153.77 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.9 p -163.89 131.09 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 23.5 mt-10 -71.62 158.72 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.58 131.83 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.85 -22.74 10.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -145.59 141.86 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -39.27 -35.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -54.85 138.44 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -103.14 149.57 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.7 m -125.06 164.25 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -148.55 107.52 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.785 ' CD1' HD13 ' A' ' 68' ' ' LEU . 82.8 m95 -65.32 154.18 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 70.8 m-85 -144.02 116.8 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -99.94 118.72 36.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 52.01 38.7 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.59 37.39 68.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -140.62 112.24 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 10.7 ttpt -44.23 127.65 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 44' ' ' TRP . 34.1 mt -86.87 145.08 26.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.5 t -117.57 126.05 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 t -65.35 89.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.9 m -113.54 172.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t -40.23 -29.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -81.66 -62.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' SER . 31.2 t -103.1 135.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -130.04 124.87 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.692 HG22 HD12 ' A' ' 68' ' ' LEU . 61.0 t -91.91 95.07 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -89.34 134.69 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.37 95.81 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.634 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.6 m -98.15 103.43 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.58 -110.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.1 m -107.41 39.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.634 ' HB ' HG23 ' A' ' 62' ' ' VAL . 8.7 m -143.78 116.87 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -103.73 116.69 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -119.42 144.7 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.785 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -118.9 99.12 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.3 t -80.19 116.26 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -105.1 97.19 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -70.5 142.47 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 57.71 49.24 12.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.16 100.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.89 172.52 14.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' GLY . 74.5 mm-40 -34.75 -55.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.69 -53.04 34.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -58.11 -38.69 76.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.13 120.86 9.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.34 -129.57 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -135.84 109.81 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 51' ' ' LEU . 11.6 m-85 -95.53 126.14 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 110.51 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.54 94.65 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.493 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.8 tt0 -82.14 142.5 32.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.7 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -169.51 110.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.02 -80.52 0.95 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.81 16.67 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -130.85 156.04 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.493 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 35.6 mt-30 -145.61 131.69 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.546 HD11 ' OE1' ' A' ' 15' ' ' GLN . 77.0 mt -106.69 123.55 48.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.24 133.84 38.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -132.1 96.36 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -72.14 118.9 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.1 tp -110.16 108.49 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -100.25 146.72 26.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 78' ' ' ALA . 62.3 t -117.46 140.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 85' ' ' ALA . 18.2 t -105.96 -33.48 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 96.4 m-85 -111.8 166.46 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . . . -54.54 -179.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -102.31 -34.55 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.75 49.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.591 ' NE2' ' HB3' ' A' ' 12' ' ' ALA . 12.1 mt-30 -119.26 139.63 27.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.08 9.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.55 -26.31 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.37 124.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.552 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 4.7 ptm180 -115.83 163.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -126.08 103.18 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.85 151.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -114.9 161.46 18.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.26 162.11 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -104.61 153.84 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.72 114.84 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.44 61.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.6 -175.17 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -123.03 105.93 10.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 173.95 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -159.27 106.68 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 mt -103.97 102.54 12.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -103.62 160.65 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.0 p -168.28 136.53 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.64 162.62 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.9 145.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -19.09 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -147.36 139.68 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -77.17 -62.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ALA . 23.2 pt20 -36.91 -39.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.446 HG21 HG13 ' A' ' 10' ' ' VAL . 89.5 m -48.5 147.02 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -107.9 158.4 17.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 85' ' ' ALA . 2.7 m -138.25 163.04 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.3 m -147.61 113.94 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CD1' HD13 ' A' ' 68' ' ' LEU . 89.5 m95 -69.53 149.99 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 97.4 m-85 -143.46 120.39 11.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HB2' HD21 ' A' ' 51' ' ' LEU . 28.9 tttm -98.34 104.77 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t0 66.36 30.44 8.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.11 71.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 10.1 mptt -107.66 131.85 53.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 61.4 tttm -66.86 109.39 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 46' ' ' LYS . 12.3 mt -73.39 151.06 41.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -125.11 119.75 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.9 p -55.09 100.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.3 t -132.21 168.42 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' SER . 54.2 m -34.5 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -61.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.1 t -108.3 132.73 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -116.73 119.56 35.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 68' ' ' LEU . 98.9 t -91.18 101.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -102.7 140.86 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.31 88.45 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.568 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.2 m -94.14 109.36 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.97 -108.22 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.4 p -111.35 35.33 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.568 ' HB ' HG23 ' A' ' 62' ' ' VAL . 5.3 m -139.13 109.7 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -99.61 103.85 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -105.38 144.18 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.0 tp -124.77 106.49 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.4 t -86.14 123.1 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.7 t -109.13 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -68.54 147.12 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 50.21 54.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.96 101.24 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.479 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -124.58 179.26 16.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 38.9 mm-40 -35.53 -53.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.23 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -63.12 -34.71 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.648 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -61.69 120.89 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.43 -134.4 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -134.78 98.98 4.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -84.31 133.54 34.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.3 m -124.42 111.27 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 42.7 t -84.28 92.37 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -75.27 151.44 38.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -171.08 106.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.01 -87.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.481 ' H ' HG21 ' A' ' 10' ' ' VAL . . . -139.05 4.32 2.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -124.86 168.03 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.445 ' C ' ' OE1' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -171.0 131.61 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.521 HD11 ' OE1' ' A' ' 15' ' ' GLN . 25.4 mt -94.51 155.63 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.28 147.02 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE2' ' HD3' ' A' ' 19' ' ' ARG . 48.5 m-85 -141.53 105.26 4.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -88.52 94.06 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -81.81 126.55 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -113.17 132.92 55.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 78' ' ' ALA . 92.2 t -104.18 124.69 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.874 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 99.2 t -117.57 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.455 ' CD1' HG12 ' A' ' 35' ' ' VAL . 41.8 m-85 -103.07 178.14 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -62.94 174.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -18.95 12.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -105.72 36.67 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.512 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.4 pt20 -126.47 146.49 56.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.18 59.22 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.36 87.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 1.2 t60 -144.36 123.22 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.493 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mtp-105 -106.97 174.39 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -124.65 101.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.13 138.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.75 173.48 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.98 -179.44 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -107.89 167.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -75.47 117.66 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.16 -17.46 57.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.53 171.05 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -108.63 102.92 11.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -74.22 177.81 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.6 m -161.68 109.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.04 96.19 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.5 t -91.86 148.72 22.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 26.9 p -156.35 134.48 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.89 162.08 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 11' ' ' PHE . 5.6 m -136.85 163.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -82.02 -23.55 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -150.25 131.8 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -64.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.0 pt20 -35.96 -39.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -53.24 147.72 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.6 156.11 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.696 HG12 ' HB2' ' A' ' 85' ' ' ALA . 8.3 m -133.51 156.11 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 109.36 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.586 ' HB3' HD12 ' A' ' 51' ' ' LEU . 84.5 m95 -64.08 155.87 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.2 m-85 -149.66 112.94 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.79 121.88 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 47.66 41.96 14.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.62 37.37 84.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -138.05 117.93 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 34.9 ttmt -44.12 127.57 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.586 HD12 ' HB3' ' A' ' 44' ' ' TRP . 15.4 mt -94.81 137.1 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -119.14 118.92 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.879 ' HB3' HG12 ' A' ' 59' ' ' VAL . 82.9 p -58.8 85.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.5 m -100.82 172.21 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 30.3 t -37.16 -39.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 7.5 mtpm? -68.65 -64.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.99 133.18 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -128.65 109.91 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.879 HG12 ' HB3' ' A' ' 53' ' ' SER . 7.1 p -85.47 121.41 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -107.57 157.56 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.23 115.54 15.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.741 HG23 ' HB ' ' A' ' 65' ' ' THR . 16.3 m -128.26 -174.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' VAL . . . -32.26 98.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' GLY . 74.0 m 34.09 50.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.741 ' HB ' HG23 ' A' ' 62' ' ' VAL . 23.9 m -151.71 116.09 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.74 109.99 22.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -108.33 150.89 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.738 HD12 ' HB ' ' A' ' 59' ' ' VAL . 3.8 tp -125.24 96.42 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.2 103.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 84.4 t -95.01 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 21.7 mm-40 -74.71 150.66 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 49.16 43.86 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.71 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -123.23 176.82 16.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 74' ' ' GLY . 14.4 mp0 -33.78 -61.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.31 -39.03 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.39 120.18 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.92 -144.09 6.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -119.82 99.58 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.41 ' CD2' HD11 ' A' ' 51' ' ' LEU . 57.4 m-85 -83.72 128.31 34.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.8 m -120.6 112.8 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.35 93.14 9.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.82 150.98 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.696 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -168.08 105.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.75 -89.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.04 25.99 3.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -142.97 173.3 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -169.76 138.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD21 ' OE1' ' A' ' 15' ' ' GLN . 9.3 mt -107.52 135.75 48.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.39 134.92 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 52.1 m-85 -134.64 91.01 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -72.78 103.55 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.54 121.09 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -103.37 154.1 19.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.655 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.7 t -130.22 142.94 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 89.7 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 40' ' ' THR . 56.4 t -91.72 -39.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 92.9 m-85 -112.88 154.65 26.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -45.89 172.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -23.82 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -94.93 35.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.2 mm100 -90.89 130.87 39.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.81 -33.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' C ' ' ND1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -162.97 118.32 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -103.88 149.13 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.33 123.94 49.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.02 131.42 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -116.53 143.86 45.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.16 179.51 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -112.08 156.86 21.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.7 121.28 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.03 -12.18 70.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 174.69 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -114.1 103.76 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.96 173.55 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.0 m -158.25 110.64 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -100.58 97.05 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -94.09 152.95 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -160.71 138.55 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.31 162.43 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 6.2 m -139.54 153.43 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.11 -24.23 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -144.06 146.41 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.07 -57.11 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -44.16 -25.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.468 HG21 HG13 ' A' ' 10' ' ' VAL . 52.5 m -67.22 140.86 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -108.22 155.45 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.1 m -131.27 161.31 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.4 m -139.69 107.87 5.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.764 ' CD1' HD13 ' A' ' 68' ' ' LEU . 80.1 m95 -64.69 146.49 54.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 61.6 m-85 -136.64 115.53 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HB2' HD21 ' A' ' 51' ' ' LEU . 7.7 tttm -97.6 131.6 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.3 t70 39.57 39.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.01 39.07 74.36 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LYS . 40.3 mttm -137.59 123.76 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 88.5 tttt -52.61 121.66 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 44' ' ' TRP . 17.7 mt -86.96 145.55 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 t -130.95 114.44 15.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.64 ' HB3' HG12 ' A' ' 59' ' ' VAL . 10.9 p -52.68 108.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' VAL . 2.7 m -126.95 178.98 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -47.79 -21.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -89.82 -50.14 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' SER . 87.3 t -114.3 135.43 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -130.55 112.58 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.799 ' HB ' HD12 ' A' ' 68' ' ' LEU . 7.5 p -95.65 109.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.33 152.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.27 89.72 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.566 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.4 m -98.4 110.09 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.03 -112.97 1.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 m -106.79 42.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.566 ' HB ' HG23 ' A' ' 62' ' ' VAL . 14.2 m -145.12 121.71 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -111.44 112.79 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -112.73 143.02 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.799 HD12 ' HB ' ' A' ' 59' ' ' VAL . 4.6 tp -119.67 98.15 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.4 111.81 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.504 HG12 ' OE1' ' A' ' 77' ' ' GLU . 80.0 t -103.42 104.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.31 147.78 47.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 50.26 52.09 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 98.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.65 173.9 14.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' GLY . 1.7 mp0 -34.29 -65.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.48 -46.21 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.504 ' OE1' HG12 ' A' ' 70' ' ' VAL . 6.4 mt-10 -68.69 -30.36 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.866 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -69.51 123.96 22.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.87 -127.66 1.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.4 107.03 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -91.3 134.51 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.0 m -121.25 113.25 19.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.94 91.11 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.76 152.69 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.576 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -173.96 111.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.49 -88.58 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 5.8 2.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.439 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -128.06 166.36 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.496 ' C ' ' CD ' ' A' ' 89' ' ' GLN . 3.3 pp0? -163.52 155.07 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -122.71 147.69 46.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.48 136.63 33.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.18 90.37 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.06 120.03 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.9 tp -109.41 114.52 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.53 153.53 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 78' ' ' ALA . 76.1 t -127.01 126.66 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -106.22 -38.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.445 ' CD1' HG12 ' A' ' 35' ' ' VAL . 50.9 m-85 -97.65 -176.23 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -177.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -16.71 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -106.45 36.43 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.617 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.4 pt20 -128.0 142.37 44.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.44 23.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.72 -46.33 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 91' ' ' SER . 0.6 OUTLIER -135.26 125.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.69 155.69 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -105.3 136.73 44.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -130.68 130.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -114.22 151.9 32.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.63 171.45 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -109.15 152.24 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 122.03 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.83 -18.91 56.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.44 169.79 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -108.21 100.94 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.15 166.36 21.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.2 m -151.83 109.0 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.6 96.73 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 t -89.48 149.57 22.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 26.3 p -157.24 133.88 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.75 162.03 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 11' ' ' PHE . 15.6 m -138.71 157.26 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.44 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.87 148.34 41.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.33 -63.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 40' ' ' THR . 10.5 pt20 -40.87 -39.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.481 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 53.2 m -48.88 131.95 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -97.44 144.94 26.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.7 172.01 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.8 m -155.28 110.95 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.577 ' CD1' HD13 ' A' ' 68' ' ' LEU . 79.4 m95 -67.94 148.62 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 62.2 m-85 -139.07 118.38 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB2' HD21 ' A' ' 51' ' ' LEU . 39.5 tttt -100.13 135.2 41.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 39.55 31.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 35.24 33.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' LYS . 37.0 pttt -130.81 140.23 50.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 32.0 tttp -67.73 108.98 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 46' ' ' LYS . 17.3 mt -77.44 168.66 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -157.83 131.61 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -55.75 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.6 p -98.97 177.3 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.1 t -47.11 -22.55 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.19 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.55 137.82 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ttm-85 -126.65 113.64 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG22 ' CD1' ' A' ' 68' ' ' LEU . 89.0 t -88.78 100.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -92.05 137.06 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 98.39 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.29 112.01 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.5 -115.79 4.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.3 42.88 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -144.56 131.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -125.2 105.42 9.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -109.08 142.44 39.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 44' ' ' TRP . 4.7 tp -116.0 105.39 12.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.1 108.6 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.8 t -98.19 101.47 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -69.9 145.71 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 53.58 47.65 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.04 104.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.588 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -122.67 178.49 16.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.48 -51.44 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.28 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -39.86 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.703 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -54.21 121.14 7.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.56 -142.28 4.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -122.45 109.91 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -99.06 126.9 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -116.73 124.04 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.6 t -95.97 97.75 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.499 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 3.1 tt0 -84.19 132.38 34.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.7 2.78 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.43 -98.09 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -103.56 17.16 51.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -149.21 154.64 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.499 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 29.5 mt-30 -146.94 123.0 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.617 HD11 ' OE1' ' A' ' 15' ' ' GLN . 39.6 mt -88.78 133.13 34.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 18' ' ' HIS . 0.7 OUTLIER -91.02 134.62 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 58.8 m-85 -134.55 89.6 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -70.49 115.85 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.01 118.11 36.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -107.46 137.38 45.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' A' ' 78' ' ' ALA . 92.9 t -111.17 139.17 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 93.9 t -107.06 -32.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CD1' HG12 ' A' ' 35' ' ' VAL . 61.0 m-85 -114.08 -177.22 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.83 -175.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -116.43 -32.21 5.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -90.01 36.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.462 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.5 pt20 -129.67 142.41 45.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.65 67.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.48 127.65 24.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -118.38 147.31 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.76 138.25 33.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -130.14 134.72 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -117.54 153.2 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.44 171.42 20.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -107.73 154.96 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 122.4 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.63 -10.94 73.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.17 172.39 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.2 p -109.44 98.47 7.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.14 165.87 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.5 m -152.45 106.41 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.63 96.54 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -90.48 149.86 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 p -160.13 129.17 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -77.34 164.18 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.573 HG12 ' CD1' ' A' ' 11' ' ' PHE . 2.5 m -137.52 174.76 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -25.62 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -149.56 123.07 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.88 -26.56 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -67.21 146.71 53.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 2.6 mp0 -102.08 162.59 12.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.4 m -138.9 172.33 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -158.68 106.99 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.714 ' CD1' HD13 ' A' ' 68' ' ' LEU . 86.1 m95 -64.52 155.95 31.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -146.75 117.92 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -101.32 118.53 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 48.74 43.41 20.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 37.84 86.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -135.28 124.55 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -56.54 112.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' A' ' 44' ' ' TRP . 24.2 mt -76.2 145.02 40.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.5 t -118.51 146.96 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.807 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -84.09 87.32 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -111.29 170.82 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 t -39.42 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.9 tppt? -80.89 -62.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 70' ' ' VAL . 60.5 t -104.1 137.35 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.6 ttm-85 -133.03 128.0 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.4 t -90.91 99.51 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.6 mp0 -92.95 140.17 29.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.24 93.0 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.473 HG23 ' HB ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -102.89 -175.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.3 100.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' GLY . 71.8 m 34.33 52.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.473 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.2 m -157.2 111.75 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 42' ' ' VAL . 71.4 mmt-85 -101.47 108.74 20.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 25.1 ptt180 -110.62 145.1 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.714 HD13 ' CD1' ' A' ' 44' ' ' TRP . 7.2 tp -118.66 107.74 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -89.45 113.58 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 57' ' ' VAL . 98.7 t -105.51 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.81 138.2 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 61.02 44.58 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.13 99.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -114.73 176.13 16.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 74' ' ' GLY . 7.8 mp0 -34.47 -66.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.67 -54.69 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.58 -41.05 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -60.0 122.08 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.41 -126.29 1.01 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -136.22 110.75 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -96.78 133.73 40.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.6 m -125.16 108.93 12.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.1 t -83.72 94.97 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.6 132.76 33.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.481 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -128.48 12.44 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.414 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 122.38 91.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.52 -40.78 2.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -107.15 158.58 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -165.13 124.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD11 ' OE1' ' A' ' 15' ' ' GLN . 10.0 mt -81.82 143.34 31.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.49 134.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -134.18 97.29 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -75.66 115.74 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -100.11 123.25 44.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -115.95 140.34 49.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.73 HG23 ' HB2' ' A' ' 78' ' ' ALA . 94.8 t -114.74 147.26 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 11' ' ' PHE . 40.1 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.852 0.358 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.579 HG21 ' H ' ' A' ' 87' ' ' GLY . 29.2 t -98.68 -41.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 63.5 m-85 -106.23 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.549 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -68.37 144.11 54.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -28.81 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.68 31.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.549 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.1 mm100 -87.44 136.45 33.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.81 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -167.91 119.03 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.521 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 12.7 mtp180 -99.47 162.7 12.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -124.41 105.01 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.42 142.16 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.82 146.47 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.86 -179.79 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -109.69 165.61 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 116.47 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.23 -13.27 68.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.68 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.3 p -122.0 96.76 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.76 171.12 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.4 m -160.56 110.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.16 99.09 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 t -91.95 153.75 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -163.98 134.19 4.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.84 162.24 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.13 143.06 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.91 41.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -151.36 130.44 12.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.22 16.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -58.74 -15.42 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 m -71.82 150.57 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.01 160.99 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' HB2' ' A' ' 85' ' ' ALA . 11.3 m -138.22 169.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 88.6 m -151.95 108.55 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.71 ' CD1' HD13 ' A' ' 68' ' ' LEU . 75.2 m95 -67.28 151.33 47.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 50' ' ' LYS . 96.3 m-85 -142.74 121.36 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HB2' HD21 ' A' ' 51' ' ' LEU . 17.1 tttm -94.58 106.04 18.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 t70 62.52 28.63 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.54 64.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -102.82 128.76 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . 13.3 ttmm -61.93 107.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 46' ' ' LYS . 29.1 mt -75.78 142.08 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -118.56 138.73 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -72.28 103.01 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' VAL . 6.0 t -126.76 172.53 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -36.8 -38.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -77.6 -68.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . 26.1 t -90.47 129.99 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -125.71 124.75 41.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.1 t -91.13 96.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -88.6 136.54 32.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.16 90.02 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.732 HG23 ' HB ' ' A' ' 65' ' ' THR . 1.8 m -102.7 -176.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -40.22 106.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 1.5 p 34.45 54.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.732 ' HB ' HG23 ' A' ' 62' ' ' VAL . 6.4 m -159.78 114.38 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -107.65 102.48 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -108.45 131.57 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.9 tp -108.75 101.15 10.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.71 121.1 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -107.13 95.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -67.66 137.44 55.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 60.45 54.2 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.58 110.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.35 169.58 18.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' GLY . 11.7 mm100 -37.43 -41.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.979 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.66 -52.63 64.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -67.13 -32.01 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.578 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -57.86 125.53 23.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.27 -131.29 1.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -132.7 116.17 16.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -102.29 139.11 38.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 m -126.75 118.24 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.75 91.84 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.72 153.89 28.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.751 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -174.61 138.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.75 -87.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.579 ' H ' HG21 ' A' ' 10' ' ' VAL . . . -143.63 11.29 2.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -131.05 173.06 11.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -163.86 141.74 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.8 176.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -119.11 149.21 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 91' ' ' SER . 65.4 m-85 -154.27 105.43 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -82.36 127.84 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.3 tp -113.15 120.15 40.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -107.8 154.41 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 78' ' ' ALA . 89.0 t -133.21 138.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -102.66 118.44 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -158.35 157.64 32.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.85 120.62 2.43 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -64.05 166.42 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 p -140.35 171.0 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.72 73.86 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -107.63 119.47 39.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 11' ' ' PHE . 62.7 t -110.75 125.82 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 85' ' ' ALA . 41.7 t -93.91 -50.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 85' ' ' ALA . 96.4 m-85 -96.86 -178.72 4.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -73.06 -178.4 2.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -14.88 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -99.71 29.42 4.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.591 ' CG ' ' HB3' ' A' ' 12' ' ' ALA . 4.7 mt-30 -106.42 138.48 19.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' HG2' ' CG ' ' A' ' 19' ' ' ARG . 54.2 Cg_endo -69.77 166.12 28.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.58 -16.09 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 2.3 t-80 -153.17 111.53 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . 14.1 mtt180 -101.31 93.09 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 10.2 mp0 -72.29 107.34 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.5 t -105.05 144.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -116.64 144.86 43.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.74 159.22 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -98.25 152.58 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.96 120.78 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.24 -6.86 81.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.97 176.79 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -112.62 107.27 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 167.75 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.2 m -156.05 111.42 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 7.4 mt -105.7 98.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -93.82 149.8 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -160.35 132.0 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.48 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 12.4 mt-10 -76.17 162.9 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.75 137.56 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.47 -22.45 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -145.93 140.67 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . . . -76.43 -60.91 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -38.26 -35.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.475 HG21 HG13 ' A' ' 10' ' ' VAL . 27.4 m -57.74 141.74 47.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -104.23 153.93 20.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.4 m -128.19 156.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -139.44 116.86 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.629 ' CD1' HD13 ' A' ' 68' ' ' LEU . 85.7 m95 -73.14 147.7 44.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 80.2 m-85 -139.02 117.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -98.78 115.19 28.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.89 31.05 20.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.36 24.07 57.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 126.82 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 39.9 tttt -56.08 112.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 44' ' ' TRP . 20.8 mt -76.85 140.44 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -118.89 141.92 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.8 p -72.03 110.17 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' LYS . 29.0 m -135.03 168.12 19.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -39.75 -27.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.5 ttmt -83.7 -63.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.46 137.66 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -126.93 121.11 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.61 94.87 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -89.67 138.38 31.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.02 90.05 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.616 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.5 m -96.91 103.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.77 -111.93 2.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 23.2 m -105.58 40.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.616 ' HB ' HG23 ' A' ' 62' ' ' VAL . 7.6 m -145.72 116.47 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.522 ' HG3' HG11 ' A' ' 42' ' ' VAL . 60.9 mmt-85 -104.14 106.45 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -110.54 133.81 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.629 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.6 tp -111.91 110.39 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.72 120.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.8 t -111.18 99.58 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -71.24 146.36 49.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 55.19 49.7 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.88 101.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -122.54 172.18 15.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' GLY . 62.4 mm-40 -36.85 -46.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.29 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' GLY . 36.7 mm-40 -75.91 -29.45 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.621 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -63.02 130.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.72 -121.77 0.85 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.29 106.28 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CD2' HD11 ' A' ' 51' ' ' LEU . 18.4 m-85 -90.39 144.02 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 m -129.68 108.35 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.19 88.81 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' HA ' ' CB ' ' A' ' 89' ' ' GLN . 13.5 tt0 -76.86 151.5 35.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.55 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . . . -169.66 110.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.87 -91.99 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.41 4.84 4.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -127.91 165.11 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.47 ' CB ' ' HA ' ' A' ' 84' ' ' GLU . 5.1 pt20 -165.87 137.28 3.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -94.61 -175.2 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 28.9 t -126.67 155.6 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 91' ' ' SER . 79.4 m-85 -158.07 106.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -86.66 104.57 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.4 tp -87.63 105.33 17.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 78' ' ' ALA . 79.5 t -111.64 126.01 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.92 150.87 21.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.95 -156.66 12.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -151.77 169.04 23.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.341 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' PHE . 3.8 t -156.67 118.16 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 3.9 p90 -36.95 141.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -139.14 152.85 47.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -92.0 105.35 17.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.3 -177.21 41.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -68.5 101.53 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.851 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -43.82 -54.36 5.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.0 166.84 18.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -154.42 156.15 36.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -119.09 136.68 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 86' ' ' GLY . 98.6 t -121.15 -25.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.1 -175.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.98 -179.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -21.48 9.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -97.67 34.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.455 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.3 pt20 -130.77 144.13 52.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 152.53 69.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.82 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.47 130.86 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -122.67 152.75 40.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -102.93 145.17 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -138.47 134.79 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -118.07 141.58 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.81 176.54 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -114.22 157.38 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB2' ' C ' ' A' ' 98' ' ' GLY . . . -63.65 119.93 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.18 -13.14 67.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 173.05 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -110.87 102.4 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -69.06 170.82 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m -160.12 112.78 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 92' ' ' PHE . 9.3 mt -105.62 96.8 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -90.33 150.77 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 p -160.43 124.91 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.74 161.92 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.29 148.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -144.36 136.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.4 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -42.45 -24.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.8 m -65.97 130.71 44.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -90.43 152.57 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.0 m -127.9 174.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 m -159.99 112.95 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.669 ' CD1' HD13 ' A' ' 68' ' ' LEU . 85.7 m95 -69.77 155.18 40.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.1 m-85 -145.34 124.67 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -103.01 120.02 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 44.38 40.99 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.6 36.66 53.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -134.55 117.5 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 72.2 tttt -52.8 120.8 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 44' ' ' TRP . 15.6 mt -82.47 150.75 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 54' ' ' SER . 39.1 t -130.31 99.08 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 59' ' ' VAL . 87.7 p -40.24 93.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' SER . 3.8 m -107.84 175.22 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -40.8 -29.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -81.09 -67.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.79 134.2 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -125.31 130.19 51.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 68' ' ' LEU . 57.3 t -93.74 107.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.24 143.09 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.9 90.11 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.755 HG23 ' HB ' ' A' ' 65' ' ' THR . 2.3 m -104.85 179.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.39 104.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 58.0 m 34.29 54.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.755 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.4 m -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.588 ' HG3' HG11 ' A' ' 42' ' ' VAL . 85.0 mmt-85 -102.49 96.82 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -104.41 135.17 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.669 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.5 tp -108.77 102.57 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.77 110.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 98.9 t -100.39 104.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.89 147.78 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 47.61 50.27 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.54 104.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.5 171.7 13.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 94.1 mm-40 -36.87 -51.85 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.6 -56.26 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' HG2' ' CG1' ' A' ' 70' ' ' VAL . 25.4 mp0 -59.15 -26.82 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.692 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -68.91 120.66 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.77 -139.54 4.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -119.24 124.96 48.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -114.36 127.25 55.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -116.24 111.56 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.8 t -84.09 98.09 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -87.27 131.33 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.84 -0.89 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.407 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 141.4 86.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.94 -39.86 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -107.03 158.26 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -162.63 134.43 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.455 HD11 ' OE1' ' A' ' 15' ' ' GLN . 12.0 mt -87.8 142.28 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.93 138.35 31.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' HB3' HD22 ' A' ' 31' ' ' LEU . 59.0 m-85 -139.44 106.27 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -84.55 106.98 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 tp -93.84 125.55 38.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -114.37 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.692 HG23 ' HB2' ' A' ' 78' ' ' ALA . 87.4 t -129.57 154.6 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' HG12 ' A' ' 96' ' ' VAL . . . -128.24 89.16 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 25' ' ' ALA . . . 126.43 -161.02 20.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.01 156.23 48.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.96 112.22 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -59.02 125.62 24.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 p -113.71 -51.96 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -108.37 100.2 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.75 -72.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -92.82 41.34 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -51.68 117.44 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.35 174.7 41.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -63.58 132.66 51.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 59.2 t -106.47 127.92 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 85' ' ' ALA . 5.7 t -108.01 -41.97 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 73.5 m-85 -103.47 175.51 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.781 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -64.2 143.54 57.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.44 70.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.68 29.56 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.781 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -80.65 137.89 51.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.531 ' HD2' HE21 ' A' ' 15' ' ' GLN . 53.4 Cg_endo -69.84 112.13 3.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.74 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -144.02 127.07 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -117.85 97.75 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.6 102.23 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.28 154.1 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -131.93 161.28 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.8 162.26 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -100.76 152.5 20.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 119.35 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 -10.92 73.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.81 -176.42 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.6 p -122.56 103.22 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.73 176.44 5.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.8 m -159.69 110.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 mt -100.97 97.2 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -90.3 151.92 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.94 122.47 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.66 164.57 21.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.19 141.4 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -16.93 62.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -148.3 151.12 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.51 -59.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -42.58 -35.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.5 m -55.52 134.92 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -101.24 152.82 20.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 85' ' ' ALA . 5.8 m -125.91 156.92 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 79.7 m -136.82 107.85 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.636 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.2 m95 -63.64 153.84 34.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -143.38 132.7 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.673 ' HB2' HD21 ' A' ' 51' ' ' LEU . 50.3 tttm -116.18 108.38 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 59.68 40.66 19.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.1 38.91 84.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -140.96 121.55 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -52.28 119.73 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.673 HD21 ' HB2' ' A' ' 46' ' ' LYS . 10.5 mt -83.05 152.93 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -120.73 148.9 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 p -89.54 113.78 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -142.15 178.64 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -40.7 -38.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -71.45 -70.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.8 t -94.09 134.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -125.08 119.79 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.733 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.9 t -94.18 111.76 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -107.4 146.44 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.12 93.49 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.73 HG23 ' HB ' ' A' ' 65' ' ' THR . 27.8 m -102.23 106.36 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.31 -106.58 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.9 m -112.15 39.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.73 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.7 m -139.04 114.99 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -105.43 102.31 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -108.0 148.22 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.733 ' CD1' HG22 ' A' ' 59' ' ' VAL . 6.3 tp -126.36 101.35 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.45 122.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 77' ' ' GLU . 85.7 t -108.15 95.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -64.68 138.06 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 58.77 54.25 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.27 100.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.51 ' C ' HG21 ' A' ' 96' ' ' VAL . . . -122.68 179.73 16.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -41.8 -37.35 1.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -54.83 22.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.624 ' HB3' HG11 ' A' ' 70' ' ' VAL . 8.3 mp0 -64.63 -24.85 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.762 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -66.92 121.14 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.69 -144.79 6.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -121.94 110.43 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -97.78 126.53 43.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.7 m -115.95 111.59 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -80.21 92.96 5.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -79.79 154.36 28.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -168.42 116.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.45 -85.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.22 4.34 3.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 9' ' ' VAL . 48.1 mt-30 -123.98 163.1 22.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.733 0.301 . . . . 0.0 110.901 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -161.51 138.03 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -100.41 174.5 6.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.53 141.75 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -145.82 109.75 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -89.33 129.17 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.0 tp -113.97 115.5 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -105.33 141.78 36.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.762 HG23 ' HB2' ' A' ' 78' ' ' ALA . 69.9 t -109.62 134.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.15 109.47 18.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.22 -54.44 0.57 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 51.04 43.75 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 38.8 t -120.22 105.5 11.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -85.13 117.12 23.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.479 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -150.18 111.53 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -80.34 103.32 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.37 -172.66 42.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 m -123.14 143.87 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m 49.51 39.33 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.19 146.92 19.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -134.33 133.02 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 11' ' ' PHE . 60.3 t -102.66 134.18 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 84.1 t -94.33 -35.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 79.6 m-85 -100.48 -175.15 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -175.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.97 -16.94 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -101.88 28.93 5.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -122.94 146.4 48.41 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 159.92 51.66 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.54 71.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.438 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -143.21 127.7 17.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 82.3 mtt180 -107.46 155.27 20.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.74 115.85 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.27 136.8 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -119.53 141.89 48.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.31 173.85 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -107.37 166.76 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.34 116.31 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.67 66.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.73 169.13 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -104.06 102.03 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.69 174.53 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 m -160.66 114.15 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.14 97.51 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -91.65 152.52 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -160.28 125.49 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -72.8 163.66 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.28 167.14 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 11' ' ' PHE . . . -85.78 -26.25 25.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.81 128.6 15.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.74 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -54.39 -22.53 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.9 m -78.3 151.05 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -109.58 155.45 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.593 HG12 ' HB2' ' A' ' 85' ' ' ALA . 5.7 m -129.28 155.03 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 m -132.88 115.07 14.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.0 m95 -70.71 149.19 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -143.54 113.9 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' LYS . 29.9 tttm -99.01 136.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 t70 40.15 32.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.49 38.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' LYS . 12.2 ptpt -129.7 139.2 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -71.48 106.95 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' A' ' 44' ' ' TRP . 11.8 mt -73.67 159.62 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -139.75 130.82 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.1 t -64.48 104.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' VAL . 8.1 t -127.23 169.45 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -37.95 -34.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -77.43 -60.08 2.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.2 t -105.67 129.11 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -119.33 124.1 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.682 HG22 ' CD1' ' A' ' 68' ' ' LEU . 90.5 t -93.49 100.59 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.19 139.75 30.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.82 85.29 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.78 HG23 ' HB ' ' A' ' 65' ' ' THR . 2.5 m -90.83 -176.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.66 104.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.0 m 38.35 53.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.78 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.1 m -159.99 118.54 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -110.04 105.75 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -110.87 132.45 54.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.682 ' CD1' HG22 ' A' ' 59' ' ' VAL . 4.7 tp -108.77 105.36 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 t -87.08 114.22 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.55 97.84 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -70.28 141.87 52.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 58.9 47.82 11.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.42 110.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.42 172.6 18.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 31.1 mm-40 -34.68 -57.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.84 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -64.21 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.584 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -67.56 123.37 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.4 -128.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.25 113.64 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -98.44 129.63 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -123.28 110.8 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.1 t -86.88 93.61 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -73.68 154.97 39.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.673 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.97 110.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.88 -90.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.9 20.75 3.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -143.18 171.63 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -166.44 131.16 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.46 147.89 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.69 151.51 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 60.2 m-85 -152.56 111.65 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -87.72 121.82 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.44 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 37.1 tp -106.5 103.31 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.418 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 69.2 mt-30 -91.06 131.36 36.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.584 HG23 ' HB2' ' A' ' 78' ' ' ALA . 91.1 t -113.84 127.05 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.04 103.93 8.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.58 -144.16 43.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.427 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -165.0 169.85 15.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.9 t -130.38 152.61 49.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -41.26 -47.52 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -108.68 114.32 28.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -136.41 132.05 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.85 -167.32 11.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -143.93 147.41 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -45.51 133.23 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.47 42.46 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 105.07 8.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -106.86 132.06 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.645 HG21 ' O ' ' A' ' 85' ' ' ALA . 97.9 t -105.97 -46.52 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -101.77 176.89 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.959 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -51.89 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -103.61 -18.52 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.88 21.39 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.959 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -66.13 136.68 95.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.529 ' HD2' HE21 ' A' ' 15' ' ' GLN . 53.7 Cg_endo -69.77 113.19 3.29 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.1 -38.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.476 ' C ' ' ND1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -157.48 117.66 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -102.7 149.37 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -107.45 126.89 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.36 138.41 50.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -120.58 155.46 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.82 172.97 15.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -107.44 161.99 14.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 99' ' ' GLN . . . -68.47 118.37 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -13.87 65.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.17 -175.72 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -120.46 106.14 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.86 176.8 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.6 m -161.05 107.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.5 98.28 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -89.65 158.64 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -170.89 131.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -76.6 169.56 18.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -144.84 143.8 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.35 -18.02 47.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -150.5 151.4 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.77 -56.93 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -46.63 -27.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -57.85 150.51 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.34 149.05 38.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.542 HG12 ' HB2' ' A' ' 85' ' ' ALA . 4.4 m -129.67 152.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 69.6 m -131.7 109.8 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CD1' HD13 ' A' ' 68' ' ' LEU . 87.8 m95 -64.36 153.88 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 91.4 m-85 -147.62 120.86 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -99.06 102.77 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t0 66.0 33.71 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.93 71.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -111.79 120.47 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.8 tttm -57.71 113.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.453 HD12 ' HB3' ' A' ' 44' ' ' TRP . 32.1 mt -78.05 150.42 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 t -126.68 138.33 53.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.7 p -68.4 130.31 42.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -158.98 171.27 20.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 m -43.33 -26.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -81.04 -68.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.02 139.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -128.24 121.19 28.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.49 95.45 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 7.8 mt-10 -88.35 135.6 33.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.67 102.36 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.778 HG23 ' HB ' ' A' ' 65' ' ' THR . 30.5 m -112.77 108.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.6 -105.93 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.91 27.95 9.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.778 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.5 m -129.22 119.83 24.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.8 mmt-85 -112.02 106.24 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.6 ptm180 -109.95 145.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.6 tp -122.16 103.43 8.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -83.87 121.14 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.404 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 90.1 t -108.91 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -69.48 138.47 53.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 62.04 44.72 7.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.0 106.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -130.31 173.12 20.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 97.0 mm-40 -34.43 -53.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.63 -52.45 13.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 62.1 mm-40 -69.46 -32.41 71.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.78 127.84 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.78 -119.63 0.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -147.15 109.32 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.05 139.53 31.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 m -128.98 110.2 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.94 98.31 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.93 152.72 23.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.645 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -175.03 112.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.76 -94.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.24 12.49 3.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -135.8 169.71 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -166.93 135.4 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -92.71 176.1 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.6 141.77 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -143.94 105.17 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.17 119.62 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.1 tp -102.04 112.11 24.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -103.55 141.57 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 97' ' ' ALA . 64.7 t -121.68 136.55 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 96' ' ' VAL . . . -75.04 179.27 5.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' GLN . . . -46.95 133.76 11.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.42 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' GLY . 2.1 tt0 -36.73 -45.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 99' ' ' GLN . 2.4 t -37.99 142.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -140.6 124.69 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 53.51 42.18 31.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -119.9 148.95 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.72 91.59 0.59 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -54.08 170.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -49.66 123.93 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.31 131.28 10.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 115.13 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -100.2 135.81 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.874 HG21 ' HA3' ' A' ' 86' ' ' GLY . 59.6 t -109.56 -35.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.719 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 32.3 m-85 -100.68 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.11 179.99 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.83 -20.68 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -96.29 30.22 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' OE1' HD21 ' A' ' 90' ' ' LEU . 4.1 pt20 -124.82 139.82 34.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.55 0.691 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 140.83 43.7 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.46 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.94 127.08 37.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -111.96 139.74 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -96.67 131.94 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.2 140.93 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 23' ' ' ALA . 37.4 tt0 -120.62 156.26 32.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 22' ' ' GLN . . . -163.72 167.69 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -99.57 168.78 9.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -76.35 120.78 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 -5.16 69.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.18 -176.39 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -116.64 95.06 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -65.75 171.91 3.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.3 m -159.72 120.47 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -112.93 99.21 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -94.65 148.82 21.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.97 119.06 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -64.73 160.46 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -136.86 152.21 28.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -75.95 -15.62 60.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -152.19 126.15 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . . . -69.92 -33.19 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.2 -15.85 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -81.18 138.54 35.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.99 153.21 18.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.567 HG12 ' HB2' ' A' ' 85' ' ' ALA . 2.9 m -128.96 157.79 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.4 m -138.48 111.11 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CD1' HD13 ' A' ' 68' ' ' LEU . 89.1 m95 -67.09 154.88 40.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.412 ' CE2' ' OE1' ' A' ' 84' ' ' GLU . 76.6 m-85 -145.12 122.83 11.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HB2' HD21 ' A' ' 51' ' ' LEU . 44.3 tttm -104.73 123.3 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 49.09 40.07 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.6 34.37 67.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -133.83 137.53 45.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -65.93 122.79 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 46' ' ' LYS . 23.8 mt -89.0 145.67 25.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.2 t -118.34 149.85 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 p -83.05 105.01 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -129.78 173.69 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.6 p -42.51 -27.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -82.12 -69.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.6 t -92.42 138.65 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -129.21 119.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 68' ' ' LEU . 88.6 t -92.1 99.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -91.91 142.71 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.54 101.71 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.795 HG23 ' HB ' ' A' ' 65' ' ' THR . 11.7 m -116.09 -176.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.95 102.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' GLY . 84.8 m 34.3 50.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.795 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.4 m -152.45 116.21 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -109.72 104.84 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -107.69 144.2 35.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.4 tp -120.41 101.27 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -82.5 114.59 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 97.7 t -102.31 102.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -72.91 143.5 47.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 54.58 52.64 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.22 106.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -122.55 174.38 16.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' GLY . 89.9 mm-40 -37.88 -50.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.67 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -63.91 -34.12 77.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -61.71 119.83 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.01 -130.34 1.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -136.59 116.46 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.32 130.34 47.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 m -117.04 110.43 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.3 t -83.37 86.94 6.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' OE1' ' CE2' ' A' ' 45' ' ' TYR . 24.7 tt0 -69.44 139.61 54.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.719 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.64 116.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.874 ' HA3' HG21 ' A' ' 10' ' ' VAL . . . 62.96 42.17 99.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.84 -22.61 5.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -89.1 -179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.93 126.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.417 HD21 ' OE1' ' A' ' 15' ' ' GLN . 12.6 mt -96.71 134.08 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.93 146.42 28.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -148.1 105.68 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 130.96 35.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.4 tp -114.81 114.36 25.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -102.48 130.61 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 78' ' ' ALA . 60.3 t -111.36 137.22 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . -77.27 171.14 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 97' ' ' ALA . . . -35.34 120.93 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.449 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 50.1 tt0 -53.76 137.97 36.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 55.2 m -99.25 157.37 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -113.05 132.47 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -95.48 94.15 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -92.05 89.08 6.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.1 81.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -159.87 136.48 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -113.24 151.66 30.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.96 115.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -111.66 140.29 46.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t -119.05 130.24 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 67.3 t -105.13 -37.97 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 27.4 m-85 -97.91 -176.02 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.16 176.77 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -21.71 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.61 39.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.438 ' OE1' HD11 ' A' ' 90' ' ' LEU . 2.9 pt20 -130.9 142.48 45.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HG2' ' CG ' ' A' ' 19' ' ' ARG . 53.5 Cg_endo -69.84 154.46 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.22 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -143.52 131.23 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.526 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 41.5 mtt180 -112.95 158.1 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -111.42 124.56 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 t -124.47 143.6 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -130.82 172.7 11.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' GLN . . . -174.65 179.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -111.43 153.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.55 118.84 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.58 -27.05 20.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 173.17 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -111.78 110.01 20.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.3 178.51 7.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.5 m -161.61 113.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 92' ' ' PHE . 13.6 mt -102.65 97.66 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -92.95 147.46 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 21.6 p -154.36 131.18 10.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.55 160.59 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.2 156.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -79.48 -19.67 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -138.03 174.24 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.9 -56.78 2.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -56.44 -14.62 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -72.04 129.12 37.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.86 155.65 16.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 85' ' ' ALA . 4.3 m -129.1 155.14 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 74.6 m -131.84 103.58 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CD1' HD13 ' A' ' 68' ' ' LEU . 94.6 m95 -59.29 155.92 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.1 m-85 -148.87 113.95 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HD2' ' CZ ' ' A' ' 81' ' ' TYR . 19.4 tttm -92.85 129.42 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 25.6 t70 40.64 37.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.1 36.83 44.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' LYS . 18.8 mtpt -133.28 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -68.49 122.2 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' ' 44' ' ' TRP . 10.5 mt -87.51 157.05 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -132.58 122.15 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -59.95 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' SER . 18.9 m -119.45 164.64 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -35.85 -34.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 54' ' ' SER . 45.0 tttt -74.37 -58.42 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -109.23 134.22 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -124.18 132.17 53.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.8 t -93.41 92.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -87.38 135.92 33.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.13 89.71 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.529 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.4 m -95.65 115.54 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.75 -115.73 2.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.4 m -102.33 37.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.529 ' HB ' HG23 ' A' ' 62' ' ' VAL . 15.5 m -142.98 128.83 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -115.98 110.54 19.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -109.61 147.84 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.9 tp -123.62 101.36 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.95 118.05 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 75.4 t -106.82 99.52 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -71.65 142.56 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 57.48 48.88 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.0 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -117.03 173.0 14.49 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 9.2 mm-40 -34.34 -54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.68 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.441 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 9.1 mm-40 -56.58 -39.42 73.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.735 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.48 131.73 51.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.41 -138.15 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' CG ' ' HG3' ' A' ' 93' ' ' ARG . 34.3 mt-10 -131.43 108.67 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 23.0 m-85 -89.66 157.38 18.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.0 m -140.51 113.64 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 47.2 t -89.51 97.15 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.3 tt0 -79.47 149.45 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.455 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -171.66 111.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.83 -82.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.95 25.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -139.55 146.86 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.497 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 17.9 mt-30 -139.47 126.62 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 ' OE1' ' A' ' 15' ' ' GLN . 15.6 mt -101.68 133.78 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.15 134.12 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CE1' ' HD2' ' A' ' 19' ' ' ARG . 59.0 m-85 -135.03 90.17 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.461 ' HG3' ' CG ' ' A' ' 80' ' ' GLU . 2.8 ttt85 -72.71 129.63 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.1 tp -113.64 127.48 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 51.7 mt-30 -113.54 132.66 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.735 HG23 ' HB2' ' A' ' 78' ' ' ALA . 84.3 t -109.3 133.25 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.22 107.33 19.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.81 -172.13 21.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -152.36 137.15 17.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 42.9 t -92.48 -55.85 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.42 -54.41 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.6 t -35.17 129.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -151.39 155.35 38.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.22 -90.91 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -69.72 102.43 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.852 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -58.75 142.61 49.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.84 170.85 24.38 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -151.94 165.89 33.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.74 124.32 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.2 t -101.22 -36.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.23 168.22 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.904 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -54.27 152.34 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -69.58 -34.13 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 23.41 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.904 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -72.9 138.55 79.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.559 0.695 . . . . 0.0 110.955 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.57 ' HD2' HE21 ' A' ' 15' ' ' GLN . 54.4 Cg_endo -69.74 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.85 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -154.13 112.25 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 4.6 mtp85 -86.7 167.2 14.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -131.58 102.4 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.488 HG21 ' CD2' ' A' ' 31' ' ' LEU . 85.8 t -98.72 148.47 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -133.52 140.78 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.96 -179.71 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.36 152.09 36.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.77 117.03 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.44 -7.93 71.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -176.98 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 t -116.84 111.89 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.597 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -81.61 173.22 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -161.05 115.5 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' CD2' HG21 ' A' ' 21' ' ' VAL . 10.5 mt -109.59 97.41 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.5 t -90.39 150.62 21.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -160.77 125.12 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.66 167.0 17.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.31 132.83 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.53 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -140.72 142.9 34.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 -54.09 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -45.7 -33.0 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -59.76 137.53 58.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -97.71 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.87 155.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 94.3 m -137.29 109.5 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' CD1' HD13 ' A' ' 68' ' ' LEU . 90.9 m95 -63.96 152.71 39.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 43' ' ' THR . 62.8 m-85 -142.19 115.94 9.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HB2' HD11 ' A' ' 51' ' ' LEU . 42.3 tttt -98.97 112.89 24.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 t0 56.67 41.01 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.68 71.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -134.82 130.02 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -59.72 123.78 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 46' ' ' LYS . 20.1 mt -91.23 146.05 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -121.56 142.89 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 109.58 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -134.21 166.41 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 m -43.64 -25.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -85.53 -51.8 6.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.9 t -111.43 132.61 59.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -123.75 121.81 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.608 HG22 ' CD1' ' A' ' 68' ' ' LEU . 89.4 t -92.49 95.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -89.69 135.9 33.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.39 89.73 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.551 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.4 m -99.64 122.57 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.46 -107.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 82.8 m -111.65 45.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 62' ' ' VAL . 4.0 m -149.81 112.97 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -104.81 101.49 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -104.81 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.662 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.2 tp -123.67 102.22 7.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.7 t -81.77 119.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.597 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 72.3 t -102.71 93.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -65.86 143.5 57.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 51.72 50.48 18.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.99 104.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.16 171.41 14.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.449 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -41.97 -36.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.929 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.54 77.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -19.18 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.678 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -71.11 130.17 40.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.04 -115.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -154.41 107.76 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -94.54 135.21 36.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -124.63 117.28 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.05 93.98 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -80.61 152.96 28.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.09 107.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.08 -91.02 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.61 5.4 3.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -126.83 166.5 17.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -168.16 128.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.08 175.38 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.49 143.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -142.8 106.17 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -83.97 111.26 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.4 tp -96.7 113.67 25.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -99.59 148.11 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.678 HG23 ' HB2' ' A' ' 78' ' ' ALA . 96.2 t -127.5 127.0 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.36 170.21 13.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.51 160.0 2.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.03 110.93 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 26.3 p -58.22 172.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -77.97 161.66 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -156.88 159.5 38.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -123.74 103.86 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.09 -147.44 18.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -119.72 123.86 44.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -107.55 145.01 33.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.79 150.57 28.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -124.51 123.16 39.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.3 t -89.3 110.72 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.412 HG13 HG21 ' A' ' 40' ' ' THR . 45.8 t -115.14 -31.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 65.4 m-85 -110.73 172.63 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -63.51 144.47 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.86 35.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.591 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 1.6 mm100 -87.75 133.15 38.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' ALA . 54.3 Cg_endo -69.7 109.0 2.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -35.39 -37.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.01 118.0 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -103.04 160.28 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -120.61 127.25 51.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.8 t -119.99 137.86 52.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -118.53 148.55 42.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.12 171.03 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.87 160.24 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 119.26 10.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.02 -13.14 65.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.15 -177.11 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -120.67 100.49 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -67.7 167.4 13.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.622 HG21 HH21 ' A' ' 67' ' ' ARG . 49.0 m -157.38 111.89 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -103.06 97.07 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -92.34 145.53 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -154.06 130.36 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.6 162.04 29.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.5 143.99 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.98 -27.57 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -141.24 136.23 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.85 -49.1 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.6 -28.48 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.412 HG21 HG13 ' A' ' 10' ' ' VAL . 7.4 m -64.86 143.85 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -104.79 146.34 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.3 m -123.77 151.78 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.7 m -132.03 119.96 21.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.567 ' CD1' HD13 ' A' ' 68' ' ' LEU . 87.9 m95 -74.59 156.68 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.496 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 78.1 m-85 -148.7 114.89 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.639 ' HB2' HD11 ' A' ' 51' ' ' LEU . 23.6 tttm -98.6 120.82 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 50.1 44.53 25.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.89 40.05 97.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -138.3 122.83 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 60.5 tttm -51.28 118.86 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 46' ' ' LYS . 28.7 mt -87.94 136.11 33.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' SER . 30.8 t -120.84 109.05 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.4 p -38.87 97.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.3 p -105.11 171.46 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.0 m -46.16 -22.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.27 -47.0 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -108.95 132.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -124.18 129.24 50.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.531 HG22 ' CD1' ' A' ' 68' ' ' LEU . 60.1 t -95.12 102.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.4 mp0 -90.5 156.41 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.6 107.4 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.797 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.6 m -120.55 -176.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.21 104.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLY . 94.8 m 34.35 48.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.797 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.5 m -151.43 125.53 9.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 84.7 mmt-85 -119.1 114.94 23.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.622 HH21 HG21 ' A' ' 30' ' ' THR . 9.2 ptm180 -118.51 142.29 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.7 tp -116.04 101.8 9.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.4 t -82.14 123.6 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 40.9 t -113.4 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -66.65 148.92 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 47.04 51.59 12.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 103.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.28 170.14 13.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 41.1 mm-40 -37.37 -49.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.48 46.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.78 -27.77 69.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.538 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -63.9 122.49 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.38 -151.1 10.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -115.54 106.46 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -93.52 133.45 36.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.7 m -117.86 124.03 47.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 97.01 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -83.75 157.04 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.558 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -174.66 111.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.3 -89.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.39 10.13 3.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -132.53 165.74 23.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 89' ' ' GLN . 2.4 pp0? -160.1 156.27 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.26 174.58 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.32 138.03 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -141.83 106.45 4.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -83.91 127.62 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 tp -111.82 106.66 15.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -98.78 135.93 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 78' ' ' ALA . 98.9 t -116.56 127.1 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.42 120.76 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.33 -161.67 50.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -115.71 -47.63 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 45.2 t -153.09 133.11 13.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 5.0 p90 -38.8 144.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -44.19 -48.31 9.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 m 62.49 41.68 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 129.57 33.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -49.8 -59.27 3.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 m -154.19 135.95 14.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.42 72.47 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.19 124.76 18.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.7 t -109.59 126.24 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -100.02 -41.26 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 85' ' ' ALA . 74.2 m-85 -105.15 -178.66 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -62.46 175.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.95 -20.26 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -99.27 31.76 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.545 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.3 pt20 -127.54 143.22 46.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 146.59 61.15 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.26 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.46 128.41 37.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -113.24 143.49 44.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -93.14 142.23 27.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 31' ' ' LEU . 91.8 t -135.28 148.28 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -134.79 153.48 52.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.18 170.73 21.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB1' ' HB2' ' A' ' 100' ' ' CYS . . . -60.7 126.29 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.64 -19.34 41.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 171.71 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -109.12 106.69 16.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.53 168.03 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.3 m -154.3 118.58 4.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 21' ' ' VAL . 19.5 mt -108.83 96.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -91.62 146.27 23.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 27.3 p -154.89 134.92 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -80.98 160.82 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.81 160.26 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.44 -27.46 34.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -134.59 156.19 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.84 -63.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -45.11 -25.05 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.7 m -62.99 117.28 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.02 153.51 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.35 163.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.6 m -147.99 106.11 3.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.565 ' CD1' HD13 ' A' ' 68' ' ' LEU . 88.2 m95 -60.3 153.93 21.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.0 m-85 -147.79 117.42 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.498 ' HB2' HD21 ' A' ' 51' ' ' LEU . 39.6 tttp -98.65 133.59 42.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 41.1 40.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.32 39.69 87.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -138.3 142.77 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -68.09 118.97 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 46' ' ' LYS . 10.5 mt -83.75 159.23 21.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.2 t -121.07 152.79 38.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.9 p -98.21 83.63 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 55' ' ' SER . 2.1 t -112.71 168.43 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.1 m -34.68 -40.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.39 -64.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.21 134.02 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.65 124.23 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -89.85 98.95 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 27.3 mm-40 -95.1 143.06 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.72 92.21 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.624 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.0 m -97.58 109.19 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.6 -114.31 2.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.0 m -102.6 39.38 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.624 ' HB ' HG23 ' A' ' 62' ' ' VAL . 17.6 m -145.84 129.12 16.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 mmt-85 -115.36 112.92 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 28.5 ptt180 -110.86 145.66 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -122.6 103.06 8.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.7 119.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 95.6 t -109.0 100.35 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.43 147.77 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 49.63 46.09 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 112.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -125.77 -179.25 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' GLY . 15.4 mp0 -35.08 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.78 -49.28 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.452 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 26.5 mm-40 -60.02 -34.96 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -66.22 124.72 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.28 -127.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -138.77 127.13 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 14.7 m-85 -108.9 137.29 47.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 45' ' ' TYR . 16.1 m -124.41 117.89 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.04 97.04 10.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.6 tt0 -85.43 127.43 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . . . -133.44 10.4 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.46 78.78 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.96 -40.37 2.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.416 ' C ' ' HG3' ' A' ' 89' ' ' GLN . 27.5 mt-30 -94.42 140.94 29.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.494 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 24.2 mt-30 -146.56 123.85 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.545 HD11 ' OE1' ' A' ' 15' ' ' GLN . 22.4 mt -93.41 125.87 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.72 135.35 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 57.1 m-85 -134.97 95.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.446 ' NE ' ' HG3' ' A' ' 95' ' ' GLN . 1.7 tmm_? -72.4 122.49 21.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.9 tp -110.24 117.74 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.446 ' HG3' ' NE ' ' A' ' 93' ' ' ARG . 49.8 mt-30 -107.06 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.1 t -109.54 138.21 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.35 109.66 17.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.52 172.24 15.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -102.15 121.18 41.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.47 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 43.1 t -134.26 135.67 43.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -120.83 -55.77 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -103.32 138.5 40.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m -46.54 107.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.67 56.01 3.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -82.36 40.96 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -145.24 135.47 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.32 98.53 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -92.9 174.48 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t -126.15 129.62 72.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.79 HG11 ' HB3' ' A' ' 85' ' ' ALA . 21.3 t -106.45 -33.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.72 165.03 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -50.28 169.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -25.45 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -95.17 32.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.58 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 1.1 mm100 -88.67 137.46 30.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.68 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.36 -30.29 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 29.4 t-80 -147.37 105.21 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -101.36 93.86 5.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.578 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 13.7 mt-10 -75.98 111.35 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.5 t -106.06 133.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -106.34 152.66 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.21 176.68 12.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -113.44 151.72 31.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.32 116.04 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.03 -17.92 56.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.05 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 m -117.03 98.61 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 176.64 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -162.06 112.85 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -104.71 96.89 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -92.38 158.05 16.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 p -171.71 131.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.11 165.62 23.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 4.4 m -140.18 145.27 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.5 -19.28 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -153.73 141.88 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -71.94 -68.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' ALA . 8.4 tt0 -34.43 -43.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -41.91 133.46 2.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 147.11 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.666 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.4 m -124.99 167.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m -154.48 109.32 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CD1' HD13 ' A' ' 68' ' ' LEU . 77.3 m95 -68.82 148.87 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 65.5 m-85 -137.65 124.87 21.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -104.03 124.05 48.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 43.66 41.36 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.78 38.5 56.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -136.41 132.58 35.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.9 tttt -61.61 115.91 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -81.49 147.25 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -126.21 147.72 49.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -78.78 74.41 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' SER . 3.4 p -87.93 167.94 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 6.0 t -37.51 -34.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -81.94 -61.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.52 129.63 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -128.4 114.69 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.5 t -87.49 108.47 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -100.54 138.25 37.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 97.1 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.848 HG23 ' HB ' ' A' ' 65' ' ' THR . 16.4 m -109.17 -175.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.51 102.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 89.5 m 33.77 46.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.848 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.0 m -147.07 118.82 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.666 ' HG3' HG11 ' A' ' 42' ' ' VAL . 75.1 mmt-85 -109.41 104.24 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -109.23 135.23 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.792 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.1 tp -112.2 104.35 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.6 t -86.62 109.31 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.05 93.06 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.97 133.21 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.83 54.22 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.49 106.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.24 167.83 12.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' GLY . 68.4 mm-40 -34.88 -46.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.03 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.8 mm-40 -61.4 -39.74 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.561 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.08 128.7 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.71 -120.09 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -141.72 114.25 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -101.25 135.55 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -124.23 114.83 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.8 t -88.89 98.54 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -91.5 128.37 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.79 ' HB3' HG11 ' A' ' 10' ' ' VAL . . . -122.67 10.41 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.531 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 122.51 92.73 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.19 -41.11 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -108.19 149.49 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -161.89 126.35 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.7 mt -83.57 163.86 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.9 146.12 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -143.13 110.39 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -86.7 106.77 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.1 tp -95.42 126.28 40.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -120.07 134.43 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 78' ' ' ALA . 79.6 t -107.64 133.29 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.09 118.33 30.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.43 179.29 49.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -91.43 144.74 25.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.6 t -92.27 125.25 36.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -62.98 159.51 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m 50.81 42.15 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -87.83 133.29 33.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.51 -116.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -131.53 140.5 49.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -113.97 101.24 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.43 92.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.17 174.42 5.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t -128.21 126.79 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.614 HG21 ' O ' ' A' ' 85' ' ' ALA . 60.2 t -104.37 -39.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 61.9 m-85 -104.8 170.52 7.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -57.27 171.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -33.02 16.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -92.19 29.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.832 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -77.06 131.86 71.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.496 ' HG3' ' NE ' ' A' ' 19' ' ' ARG . 53.9 Cg_endo -69.79 112.47 3.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.18 -29.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 4.4 t-80 -147.08 139.83 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 16.9 mtt-85 -126.7 90.25 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 2.0 mp0 -66.08 107.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.2 143.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -116.16 159.12 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.12 170.59 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -114.57 152.14 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -56.66 116.7 3.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -6.64 66.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.02 173.83 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.9 p -112.11 99.37 8.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.43 172.4 6.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.9 m -160.97 109.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 mt -102.71 97.13 7.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -92.9 151.85 19.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.3 p -158.86 132.68 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.1 159.88 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.1 131.43 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.42 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -149.9 136.38 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -72.88 -63.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 29.8 pt20 -35.59 -36.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.483 HG21 HG13 ' A' ' 10' ' ' VAL . 98.8 m -53.27 150.17 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -109.16 153.44 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.88 162.02 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.2 m -143.98 108.44 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.621 ' CD1' HD13 ' A' ' 68' ' ' LEU . 90.2 m95 -65.12 150.33 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 60.4 m-85 -140.07 116.98 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.678 ' HB2' HD21 ' A' ' 51' ' ' LEU . 41.0 tttm -92.83 127.09 38.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.28 42.88 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.26 36.58 70.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -138.33 131.01 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 57.4 tttt -58.48 120.02 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.678 HD21 ' HB2' ' A' ' 46' ' ' LYS . 11.1 mt -82.91 175.35 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -151.72 126.55 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 94.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' SER . 24.2 p -110.7 167.45 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.9 m -36.02 -35.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 77' ' ' GLU . 26.0 ttmt -80.92 -65.63 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.29 131.63 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -126.28 121.96 34.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG22 ' CD1' ' A' ' 68' ' ' LEU . 61.7 t -92.02 103.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 7.6 mt-10 -98.07 138.78 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.87 90.5 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.74 HG23 ' HB ' ' A' ' 65' ' ' THR . 1.6 m -96.99 -179.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -36.04 107.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 42.7 m 34.09 47.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.74 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.2 m -153.52 121.07 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 72.9 mmt-85 -110.79 108.96 18.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 9.9 ptm180 -111.28 144.37 40.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.621 HD13 ' CD1' ' A' ' 44' ' ' TRP . 4.9 tp -118.47 98.31 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.6 t -80.91 115.97 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -105.59 102.07 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -71.1 146.55 49.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 48.62 50.86 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 102.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.73 171.62 13.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 10.2 mm-40 -35.14 -53.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.87 -57.89 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 3.8 mm-40 -55.49 -38.95 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -53.16 132.44 38.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.71 -141.37 6.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.39 105.0 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -84.09 161.25 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' TYR . 20.3 m -143.55 110.49 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 53.0 t -86.96 94.79 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -81.85 155.31 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.614 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -174.62 110.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.88 -95.27 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.59 27.35 3.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -147.64 166.66 26.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -166.44 125.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 mt -95.43 154.0 17.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.525 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 29.2 t -97.1 155.65 16.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 47.0 m-85 -154.73 105.33 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -85.92 132.87 33.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.9 tp -116.02 114.69 24.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -99.94 144.84 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 78' ' ' ALA . 61.5 t -128.51 134.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . -105.68 168.46 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.99 -142.8 31.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -158.36 139.94 13.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 101' ' ' PHE . 58.1 m -48.94 -54.27 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 102' ' ' GLY . 56.7 t80 -38.2 120.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -75.06 151.1 38.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 t -79.98 -47.51 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.65 87.87 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -60.0 -47.59 85.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.816 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -83.29 81.0 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.11 141.07 8.21 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -174.72 108.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 69.6 t -98.45 138.32 23.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 86' ' ' GLY . 15.4 t -107.99 -30.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 85.6 m-85 -114.91 162.39 16.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -48.44 166.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.126 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -21.44 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.6 46.16 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.642 ' OE1' HD11 ' A' ' 90' ' ' LEU . 15.2 mt-30 -115.52 142.26 28.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 146.65 60.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.1 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -149.41 117.85 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -97.26 149.84 21.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -112.5 103.2 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.53 HG21 ' CD2' ' A' ' 31' ' ' LEU . 97.0 t -93.29 137.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.47 141.08 52.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.85 -175.84 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -120.57 157.37 29.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 117.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -30.0 11.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.5 -176.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -129.04 102.47 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.55 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -154.07 108.23 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.53 ' CD2' HG21 ' A' ' 21' ' ' VAL . 6.0 mt -95.9 98.18 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -89.02 159.54 17.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -173.12 134.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.12 171.7 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.49 141.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.72 -15.34 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -158.52 138.59 12.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.87 -53.7 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -42.2 -30.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -63.67 131.83 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.16 149.05 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.2 m -123.11 174.49 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.9 m -161.24 105.7 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.716 ' CD1' HD13 ' A' ' 68' ' ' LEU . 79.3 m95 -64.24 149.67 47.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 55.9 m-85 -138.62 121.16 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HB2' HD21 ' A' ' 51' ' ' LEU . 31.6 tttm -105.3 120.93 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 47.63 44.99 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.08 40.84 97.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -139.76 121.3 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 30.0 ttmt -54.23 105.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 46' ' ' LYS . 27.2 mt -66.31 142.43 57.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -113.47 129.0 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 p -67.47 96.36 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -126.53 170.61 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -37.84 -36.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -70.03 -62.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.409 ' CG1' HD11 ' A' ' 68' ' ' LEU . 54.0 t -106.07 131.23 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttm-85 -118.62 115.84 25.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.5 t -83.64 93.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 18.2 mm-40 -85.89 136.27 33.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.91 100.23 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.828 HG23 ' HB ' ' A' ' 65' ' ' THR . 6.1 m -113.07 -179.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.81 108.93 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 63' ' ' GLY . 15.8 p 33.61 47.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.391 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.828 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.1 m -153.49 121.64 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.56 ' HG3' HG11 ' A' ' 42' ' ' VAL . 78.5 mmt-85 -117.36 108.16 15.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.9 ptm180 -111.15 143.12 42.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.716 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.8 tp -118.88 103.84 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.1 t -83.15 117.37 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.3 t -102.7 92.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -65.97 140.9 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 57.27 49.42 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.96 100.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.49 173.43 14.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -38.11 -54.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.18 -42.94 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.37 -33.91 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.71 121.07 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.23 -137.52 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.433 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -128.87 105.11 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -91.88 126.14 36.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.425 ' HB3' ' CD ' ' A' ' 89' ' ' GLN . 25.5 m -116.34 125.67 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.1 t -96.08 102.09 13.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -93.87 134.91 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' HG11 ' A' ' 10' ' ' VAL . . . -131.84 -0.67 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.545 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 139.67 83.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.58 -38.24 2.29 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -103.73 154.7 19.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.449 ' C ' ' OE1' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -171.43 137.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.642 HD11 ' OE1' ' A' ' 15' ' ' GLN . 12.7 mt -94.97 168.85 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.03 136.38 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -133.61 88.11 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' VAL . 11.2 tpp85 -65.76 115.4 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.2 tp -101.09 115.18 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -105.25 146.58 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.8 t -124.57 131.29 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.68 116.39 30.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.23 -179.76 50.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -107.25 143.83 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.5 m -50.93 171.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -49.78 165.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.509 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -65.38 -61.06 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -115.54 5.85 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.45 -65.4 3.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -109.02 125.34 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -161.57 150.49 15.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.16 53.81 3.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -43.99 141.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 56.1 t -124.43 126.4 71.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.7 HG21 ' O ' ' A' ' 85' ' ' ALA . 97.8 t -97.31 -40.49 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 47.2 m-85 -104.99 163.17 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.21 175.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -17.91 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -99.01 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.546 ' OE1' HD11 ' A' ' 90' ' ' LEU . 13.6 mt-30 -121.47 134.85 24.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.554 0.692 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' HIS . 53.8 Cg_endo -69.77 128.43 16.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.06 -25.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -160.01 121.77 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -103.37 144.44 31.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.58 134.75 45.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.7 t -131.97 133.57 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -117.67 148.86 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.09 174.8 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -106.41 156.6 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 120.03 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.64 -13.83 66.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.46 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -117.51 109.4 16.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.9 176.85 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -164.79 105.47 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.85 97.4 9.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -92.25 153.77 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.9 p -163.89 131.09 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 23.5 mt-10 -71.62 158.72 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.58 131.83 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.85 -22.74 10.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -145.59 141.86 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -39.27 -35.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -54.85 138.44 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -103.14 149.57 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.7 m -125.06 164.25 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -148.55 107.52 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.785 ' CD1' HD13 ' A' ' 68' ' ' LEU . 82.8 m95 -65.32 154.18 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 70.8 m-85 -144.02 116.8 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -99.94 118.72 36.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 52.01 38.7 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.59 37.39 68.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -140.62 112.24 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 10.7 ttpt -44.23 127.65 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 44' ' ' TRP . 34.1 mt -86.87 145.08 26.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.5 t -117.57 126.05 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 t -65.35 89.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.9 m -113.54 172.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t -40.23 -29.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -81.66 -62.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' SER . 31.2 t -103.1 135.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -130.04 124.87 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.692 HG22 HD12 ' A' ' 68' ' ' LEU . 61.0 t -91.91 95.07 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -89.34 134.69 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.37 95.81 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.634 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.6 m -98.15 103.43 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.58 -110.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.1 m -107.41 39.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.634 ' HB ' HG23 ' A' ' 62' ' ' VAL . 8.7 m -143.78 116.87 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -103.73 116.69 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -119.42 144.7 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.785 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -118.9 99.12 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.3 t -80.19 116.26 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -105.1 97.19 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -70.5 142.47 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 57.71 49.24 12.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.16 100.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.89 172.52 14.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' GLY . 74.5 mm-40 -34.75 -55.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.69 -53.04 34.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -58.11 -38.69 76.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.13 120.86 9.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.34 -129.57 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -135.84 109.81 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 51' ' ' LEU . 11.6 m-85 -95.53 126.14 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 110.51 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.54 94.65 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.493 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.8 tt0 -82.14 142.5 32.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.7 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -169.51 110.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.02 -80.52 0.95 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.81 16.67 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -130.85 156.04 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.493 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 35.6 mt-30 -145.61 131.69 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.546 HD11 ' OE1' ' A' ' 15' ' ' GLN . 77.0 mt -106.69 123.55 48.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.24 133.84 38.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -132.1 96.36 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -72.14 118.9 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.1 tp -110.16 108.49 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -100.25 146.72 26.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 78' ' ' ALA . 62.3 t -117.46 140.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.44 138.76 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.3 -156.03 38.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -137.62 150.57 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.78 99.92 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -79.42 172.82 13.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 67.24 47.54 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -66.1 96.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.2 -120.61 2.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t 61.61 40.98 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -82.4 -50.18 9.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.39 136.14 6.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.5 122.61 32.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t -84.53 130.08 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 85' ' ' ALA . 18.2 t -105.96 -33.48 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 96.4 m-85 -111.8 166.46 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . . . -54.54 -179.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -102.31 -34.55 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.75 49.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.591 ' NE2' ' HB3' ' A' ' 12' ' ' ALA . 12.1 mt-30 -119.26 139.63 27.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.08 9.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.55 -26.31 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.37 124.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.552 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 4.7 ptm180 -115.83 163.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -126.08 103.18 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.85 151.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -114.9 161.46 18.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.26 162.11 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -104.61 153.84 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.72 114.84 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.44 61.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.6 -175.17 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -123.03 105.93 10.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 173.95 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -159.27 106.68 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 mt -103.97 102.54 12.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -103.62 160.65 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.0 p -168.28 136.53 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.64 162.62 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.9 145.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -19.09 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -147.36 139.68 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -77.17 -62.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ALA . 23.2 pt20 -36.91 -39.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.446 HG21 HG13 ' A' ' 10' ' ' VAL . 89.5 m -48.5 147.02 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -107.9 158.4 17.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 85' ' ' ALA . 2.7 m -138.25 163.04 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.3 m -147.61 113.94 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CD1' HD13 ' A' ' 68' ' ' LEU . 89.5 m95 -69.53 149.99 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 97.4 m-85 -143.46 120.39 11.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HB2' HD21 ' A' ' 51' ' ' LEU . 28.9 tttm -98.34 104.77 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t0 66.36 30.44 8.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.11 71.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 10.1 mptt -107.66 131.85 53.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 61.4 tttm -66.86 109.39 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 46' ' ' LYS . 12.3 mt -73.39 151.06 41.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -125.11 119.75 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.9 p -55.09 100.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.3 t -132.21 168.42 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' SER . 54.2 m -34.5 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -61.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.1 t -108.3 132.73 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -116.73 119.56 35.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 68' ' ' LEU . 98.9 t -91.18 101.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -102.7 140.86 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.31 88.45 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.568 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.2 m -94.14 109.36 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.97 -108.22 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.4 p -111.35 35.33 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.568 ' HB ' HG23 ' A' ' 62' ' ' VAL . 5.3 m -139.13 109.7 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -99.61 103.85 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -105.38 144.18 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.0 tp -124.77 106.49 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.4 t -86.14 123.1 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.7 t -109.13 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -68.54 147.12 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 50.21 54.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.96 101.24 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.479 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -124.58 179.26 16.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 38.9 mm-40 -35.53 -53.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.23 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -63.12 -34.71 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.648 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -61.69 120.89 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.43 -134.4 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -134.78 98.98 4.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -84.31 133.54 34.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.3 m -124.42 111.27 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 42.7 t -84.28 92.37 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -75.27 151.44 38.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -171.08 106.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.01 -87.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.481 ' H ' HG21 ' A' ' 10' ' ' VAL . . . -139.05 4.32 2.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -124.86 168.03 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.445 ' C ' ' OE1' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -171.0 131.61 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.521 HD11 ' OE1' ' A' ' 15' ' ' GLN . 25.4 mt -94.51 155.63 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.28 147.02 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE2' ' HD3' ' A' ' 19' ' ' ARG . 48.5 m-85 -141.53 105.26 4.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -88.52 94.06 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -81.81 126.55 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -113.17 132.92 55.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 78' ' ' ALA . 92.2 t -104.18 124.69 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.58 91.54 8.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.16 -138.8 10.46 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -174.99 145.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 9.2 m -133.88 103.1 5.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.97 132.22 52.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -120.83 -47.71 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -82.45 121.83 27.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.24 87.04 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -43.36 112.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -47.31 156.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.71 -170.77 20.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -132.83 106.09 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t -88.23 138.13 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 99.2 t -117.57 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' CD1' HG12 ' A' ' 35' ' ' VAL . 41.8 m-85 -103.07 178.14 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -62.94 174.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -18.95 12.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -105.72 36.67 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.512 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.4 pt20 -126.47 146.49 56.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.18 59.22 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.36 87.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 1.2 t60 -144.36 123.22 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.493 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mtp-105 -106.97 174.39 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -124.65 101.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.13 138.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.75 173.48 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.98 -179.44 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -107.89 167.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -75.47 117.66 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.16 -17.46 57.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.53 171.05 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -108.63 102.92 11.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -74.22 177.81 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.6 m -161.68 109.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.04 96.19 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.5 t -91.86 148.72 22.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 26.9 p -156.35 134.48 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.89 162.08 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 11' ' ' PHE . 5.6 m -136.85 163.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -82.02 -23.55 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -150.25 131.8 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -64.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.0 pt20 -35.96 -39.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -53.24 147.72 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.6 156.11 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.696 HG12 ' HB2' ' A' ' 85' ' ' ALA . 8.3 m -133.51 156.11 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 109.36 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.586 ' HB3' HD12 ' A' ' 51' ' ' LEU . 84.5 m95 -64.08 155.87 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.2 m-85 -149.66 112.94 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.79 121.88 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 47.66 41.96 14.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.62 37.37 84.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -138.05 117.93 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 34.9 ttmt -44.12 127.57 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.586 HD12 ' HB3' ' A' ' 44' ' ' TRP . 15.4 mt -94.81 137.1 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -119.14 118.92 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.879 ' HB3' HG12 ' A' ' 59' ' ' VAL . 82.9 p -58.8 85.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.5 m -100.82 172.21 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 30.3 t -37.16 -39.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 7.5 mtpm? -68.65 -64.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.99 133.18 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -128.65 109.91 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.879 HG12 ' HB3' ' A' ' 53' ' ' SER . 7.1 p -85.47 121.41 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -107.57 157.56 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.23 115.54 15.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.741 HG23 ' HB ' ' A' ' 65' ' ' THR . 16.3 m -128.26 -174.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' VAL . . . -32.26 98.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' GLY . 74.0 m 34.09 50.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.741 ' HB ' HG23 ' A' ' 62' ' ' VAL . 23.9 m -151.71 116.09 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.74 109.99 22.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -108.33 150.89 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.738 HD12 ' HB ' ' A' ' 59' ' ' VAL . 3.8 tp -125.24 96.42 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.2 103.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 84.4 t -95.01 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 21.7 mm-40 -74.71 150.66 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 49.16 43.86 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.71 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -123.23 176.82 16.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 74' ' ' GLY . 14.4 mp0 -33.78 -61.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.31 -39.03 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.39 120.18 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.92 -144.09 6.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -119.82 99.58 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.41 ' CD2' HD11 ' A' ' 51' ' ' LEU . 57.4 m-85 -83.72 128.31 34.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.8 m -120.6 112.8 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.35 93.14 9.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.82 150.98 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.696 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -168.08 105.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.75 -89.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.04 25.99 3.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -142.97 173.3 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -169.76 138.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD21 ' OE1' ' A' ' 15' ' ' GLN . 9.3 mt -107.52 135.75 48.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.39 134.92 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 52.1 m-85 -134.64 91.01 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -72.78 103.55 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.54 121.09 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -103.37 154.1 19.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.655 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.7 t -130.22 142.94 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . -113.11 152.53 29.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.51 -171.04 26.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -108.43 133.32 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 51.6 t -78.9 106.03 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.66 105.96 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -105.78 150.28 25.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -61.54 95.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.56 -121.4 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -154.27 145.23 22.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 t -164.73 106.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.92 45.84 0.68 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -92.52 135.19 34.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 89.7 t -130.6 123.54 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 40' ' ' THR . 56.4 t -91.72 -39.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 92.9 m-85 -112.88 154.65 26.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -45.89 172.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -23.82 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -94.93 35.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.2 mm100 -90.89 130.87 39.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.81 -33.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' C ' ' ND1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -162.97 118.32 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -103.88 149.13 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.33 123.94 49.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.02 131.42 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -116.53 143.86 45.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.16 179.51 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -112.08 156.86 21.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . -63.7 121.28 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.03 -12.18 70.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 174.69 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -114.1 103.76 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.96 173.55 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.0 m -158.25 110.64 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -100.58 97.05 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -94.09 152.95 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -160.71 138.55 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.31 162.43 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 6.2 m -139.54 153.43 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.11 -24.23 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -144.06 146.41 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.07 -57.11 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -44.16 -25.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.468 HG21 HG13 ' A' ' 10' ' ' VAL . 52.5 m -67.22 140.86 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -108.22 155.45 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.1 m -131.27 161.31 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.4 m -139.69 107.87 5.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.764 ' CD1' HD13 ' A' ' 68' ' ' LEU . 80.1 m95 -64.69 146.49 54.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 61.6 m-85 -136.64 115.53 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HB2' HD21 ' A' ' 51' ' ' LEU . 7.7 tttm -97.6 131.6 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.3 t70 39.57 39.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.01 39.07 74.36 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LYS . 40.3 mttm -137.59 123.76 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 88.5 tttt -52.61 121.66 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 44' ' ' TRP . 17.7 mt -86.96 145.55 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 t -130.95 114.44 15.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.64 ' HB3' HG12 ' A' ' 59' ' ' VAL . 10.9 p -52.68 108.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' VAL . 2.7 m -126.95 178.98 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -47.79 -21.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -89.82 -50.14 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' SER . 87.3 t -114.3 135.43 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -130.55 112.58 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.799 ' HB ' HD12 ' A' ' 68' ' ' LEU . 7.5 p -95.65 109.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.33 152.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.27 89.72 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.566 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.4 m -98.4 110.09 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.03 -112.97 1.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 m -106.79 42.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.566 ' HB ' HG23 ' A' ' 62' ' ' VAL . 14.2 m -145.12 121.71 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -111.44 112.79 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -112.73 143.02 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.799 HD12 ' HB ' ' A' ' 59' ' ' VAL . 4.6 tp -119.67 98.15 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.4 111.81 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.504 HG12 ' OE1' ' A' ' 77' ' ' GLU . 80.0 t -103.42 104.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.31 147.78 47.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 50.26 52.09 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 98.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.65 173.9 14.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.514 ' H ' ' NE2' ' A' ' 75' ' ' GLN . 2.2 mp0 -34.29 -65.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.48 -46.21 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.504 ' OE1' HG12 ' A' ' 70' ' ' VAL . 6.4 mt-10 -68.69 -30.36 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.866 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -69.51 123.96 22.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.87 -127.66 1.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.4 107.03 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -91.3 134.51 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.0 m -121.25 113.25 19.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.94 91.11 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.76 152.69 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.576 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -173.96 111.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.49 -88.58 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 5.8 2.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.439 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -128.06 166.36 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.496 ' C ' ' CD ' ' A' ' 89' ' ' GLN . 3.3 pp0? -163.52 155.07 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -122.71 147.69 46.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.48 136.63 33.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.18 90.37 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.06 120.03 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.9 tp -109.41 114.52 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.53 153.53 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 78' ' ' ALA . 76.1 t -127.01 126.66 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.79 122.13 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.703 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . 78.15 161.23 16.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -112.25 109.63 19.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 6.0 t -152.25 156.61 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -82.29 -43.43 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -97.67 93.32 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -134.55 144.23 47.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.04 -124.39 3.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -53.95 -50.67 65.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.5 p -41.99 121.76 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.11 41.17 0.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -84.8 105.87 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -93.33 132.77 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -106.22 -38.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' CD1' HG12 ' A' ' 35' ' ' VAL . 50.9 m-85 -97.65 -176.23 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -177.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -16.71 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -106.45 36.43 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.617 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.4 pt20 -128.0 142.37 44.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.44 23.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.72 -46.33 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 91' ' ' SER . 0.6 OUTLIER -135.26 125.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.69 155.69 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -105.3 136.73 44.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -130.68 130.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -114.22 151.9 32.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.63 171.45 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -109.15 152.24 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 122.03 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.83 -18.91 56.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.44 169.79 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -108.21 100.94 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.15 166.36 21.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.2 m -151.83 109.0 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.6 96.73 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 t -89.48 149.57 22.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 26.3 p -157.24 133.88 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.75 162.03 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 11' ' ' PHE . 15.6 m -138.71 157.26 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.44 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.87 148.34 41.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.33 -63.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 40' ' ' THR . 10.5 pt20 -40.87 -39.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.481 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 53.2 m -48.88 131.95 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -97.44 144.94 26.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.7 172.01 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.8 m -155.28 110.95 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.577 ' CD1' HD13 ' A' ' 68' ' ' LEU . 79.4 m95 -67.94 148.62 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 62.2 m-85 -139.07 118.38 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB2' HD21 ' A' ' 51' ' ' LEU . 39.5 tttt -100.13 135.2 41.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 39.55 31.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 35.24 33.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' LYS . 37.0 pttt -130.81 140.23 50.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 32.0 tttp -67.73 108.98 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 46' ' ' LYS . 17.3 mt -77.44 168.66 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -157.83 131.61 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -55.75 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.6 p -98.97 177.3 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.1 t -47.11 -22.55 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.19 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.55 137.82 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ttm-85 -126.65 113.64 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG22 ' CD1' ' A' ' 68' ' ' LEU . 89.0 t -88.78 100.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -92.05 137.06 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 98.39 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.29 112.01 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.5 -115.79 4.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.3 42.88 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -144.56 131.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -125.2 105.42 9.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -109.08 142.44 39.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 44' ' ' TRP . 4.7 tp -116.0 105.39 12.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.1 108.6 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.8 t -98.19 101.47 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -69.9 145.71 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 53.58 47.65 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.04 104.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.588 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -122.67 178.49 16.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.48 -51.44 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.28 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -39.86 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.703 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -54.21 121.14 7.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.56 -142.28 4.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -122.45 109.91 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -99.06 126.9 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -116.73 124.04 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.6 t -95.97 97.75 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 3.1 tt0 -84.19 132.38 34.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.7 2.78 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.43 -98.09 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -103.56 17.16 51.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -149.21 154.64 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.499 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 29.5 mt-30 -146.94 123.0 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD11 ' OE1' ' A' ' 15' ' ' GLN . 39.6 mt -88.78 133.13 34.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 18' ' ' HIS . 0.7 OUTLIER -91.02 134.62 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 58.8 m-85 -134.55 89.6 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -70.49 115.85 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.01 118.11 36.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -107.46 137.38 45.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' A' ' 78' ' ' ALA . 92.9 t -111.17 139.17 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -112.77 168.05 9.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.52 -156.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -155.9 152.18 27.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.763 0.316 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.61 138.87 56.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -139.51 139.44 36.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -170.62 140.33 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -131.09 120.48 23.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.59 -119.76 2.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -69.47 84.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -99.46 166.22 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.1 -160.32 8.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -138.3 143.92 40.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -112.57 131.47 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 93.9 t -107.06 -32.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CD1' HG12 ' A' ' 35' ' ' VAL . 61.0 m-85 -114.08 -177.22 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.83 -175.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -116.43 -32.21 5.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -90.01 36.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.462 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.5 pt20 -129.67 142.41 45.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.65 67.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.48 127.65 24.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -118.38 147.31 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.76 138.25 33.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -130.14 134.72 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -117.54 153.2 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.44 171.42 20.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -107.73 154.96 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 122.4 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.63 -10.94 73.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.17 172.39 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.2 p -109.44 98.47 7.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.14 165.87 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.5 m -152.45 106.41 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.63 96.54 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -90.48 149.86 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 p -160.13 129.17 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -77.34 164.18 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.573 HG12 ' CD1' ' A' ' 11' ' ' PHE . 2.5 m -137.52 174.76 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -25.62 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -149.56 123.07 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.88 -26.56 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -67.21 146.71 53.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 2.6 mp0 -102.08 162.59 12.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.4 m -138.9 172.33 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -158.68 106.99 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.714 ' CD1' HD13 ' A' ' 68' ' ' LEU . 86.1 m95 -64.52 155.95 31.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -146.75 117.92 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -101.32 118.53 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 48.74 43.41 20.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 37.84 86.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -135.28 124.55 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -56.54 112.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' A' ' 44' ' ' TRP . 24.2 mt -76.2 145.02 40.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.5 t -118.51 146.96 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.807 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -84.09 87.32 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -111.29 170.82 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 t -39.42 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.9 tppt? -80.89 -62.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 70' ' ' VAL . 60.5 t -104.1 137.35 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.6 ttm-85 -133.03 128.0 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.4 t -90.91 99.51 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.6 mp0 -92.95 140.17 29.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.24 93.0 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.473 HG23 ' HB ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -102.89 -175.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.3 100.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' GLY . 71.8 m 34.33 52.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.473 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.2 m -157.2 111.75 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 42' ' ' VAL . 71.4 mmt-85 -101.47 108.74 20.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 25.1 ptt180 -110.62 145.1 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.714 HD13 ' CD1' ' A' ' 44' ' ' TRP . 7.2 tp -118.66 107.74 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -89.45 113.58 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 57' ' ' VAL . 98.7 t -105.51 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.81 138.2 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 61.02 44.58 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.13 99.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -114.73 176.13 16.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 74' ' ' GLY . 7.8 mp0 -34.47 -66.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.67 -54.69 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.58 -41.05 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -60.0 122.08 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.41 -126.29 1.01 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -136.22 110.75 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -96.78 133.73 40.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.6 m -125.16 108.93 12.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.1 t -83.72 94.97 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.6 132.76 33.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.481 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -128.48 12.44 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.414 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 122.38 91.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.52 -40.78 2.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -107.15 158.58 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -165.13 124.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD11 ' OE1' ' A' ' 15' ' ' GLN . 10.0 mt -81.82 143.34 31.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.49 134.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -134.18 97.29 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -75.66 115.74 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -100.11 123.25 44.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -115.95 140.34 49.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.73 HG23 ' HB2' ' A' ' 78' ' ' ALA . 94.8 t -114.74 147.26 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.43 126.81 52.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.68 -162.6 34.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -110.66 137.6 48.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.1 p -73.91 -42.97 59.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -68.89 144.54 54.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -143.14 165.89 26.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -151.3 138.68 19.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.03 159.09 24.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -126.23 174.72 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -74.94 3.76 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.88 137.64 14.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.79 114.14 27.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 11' ' ' PHE . 40.1 t -87.22 124.84 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.579 HG21 ' H ' ' A' ' 87' ' ' GLY . 29.2 t -98.68 -41.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 63.5 m-85 -106.23 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.549 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -68.37 144.11 54.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -28.81 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.68 31.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.549 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.1 mm100 -87.44 136.45 33.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.81 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -167.91 119.03 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.521 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 12.7 mtp180 -99.47 162.7 12.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -124.41 105.01 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.42 142.16 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.82 146.47 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.86 -179.79 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -109.69 165.61 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 116.47 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.23 -13.27 68.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.68 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.3 p -122.0 96.76 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.76 171.12 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.4 m -160.56 110.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.16 99.09 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 t -91.95 153.75 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -163.98 134.19 4.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.84 162.24 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.13 143.06 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.91 41.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -151.36 130.44 12.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.22 16.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -58.74 -15.42 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 m -71.82 150.57 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.01 160.99 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' HB2' ' A' ' 85' ' ' ALA . 11.3 m -138.22 169.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 88.6 m -151.95 108.55 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.71 ' CD1' HD13 ' A' ' 68' ' ' LEU . 75.2 m95 -67.28 151.33 47.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 50' ' ' LYS . 96.3 m-85 -142.74 121.36 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HB2' HD21 ' A' ' 51' ' ' LEU . 17.1 tttm -94.58 106.04 18.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 t70 62.52 28.63 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.54 64.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -102.82 128.76 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . 13.3 ttmm -61.93 107.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 46' ' ' LYS . 29.1 mt -75.78 142.08 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -118.56 138.73 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -72.28 103.01 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' VAL . 6.0 t -126.76 172.53 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -36.8 -38.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -77.6 -68.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . 26.1 t -90.47 129.99 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -125.71 124.75 41.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.1 t -91.13 96.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -88.6 136.54 32.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.16 90.02 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.732 HG23 ' HB ' ' A' ' 65' ' ' THR . 1.8 m -102.7 -176.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -40.22 106.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 1.5 p 34.45 54.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.732 ' HB ' HG23 ' A' ' 62' ' ' VAL . 6.4 m -159.78 114.38 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -107.65 102.48 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -108.45 131.57 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.9 tp -108.75 101.15 10.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.71 121.1 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -107.13 95.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -67.66 137.44 55.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 60.45 54.2 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.58 110.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.35 169.58 18.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' GLY . 11.7 mm100 -37.43 -41.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.979 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.66 -52.63 64.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -67.13 -32.01 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.578 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -57.86 125.53 23.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.27 -131.29 1.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -132.7 116.17 16.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -102.29 139.11 38.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 m -126.75 118.24 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.75 91.84 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.72 153.89 28.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.751 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -174.61 138.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.75 -87.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.579 ' H ' HG21 ' A' ' 10' ' ' VAL . . . -143.63 11.29 2.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -131.05 173.06 11.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -163.86 141.74 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.8 176.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -119.11 149.21 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 91' ' ' SER . 65.4 m-85 -154.27 105.43 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -82.36 127.84 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.3 tp -113.15 120.15 40.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -107.8 154.41 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 78' ' ' ALA . 89.0 t -133.21 138.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.76 90.27 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.74 -152.06 18.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.482 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -144.06 152.47 41.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.67 165.21 25.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -90.09 134.33 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 11' ' ' PHE . 62.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.845 0.355 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 85' ' ' ALA . 41.7 t -93.91 -50.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 85' ' ' ALA . 96.4 m-85 -96.86 -178.72 4.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -73.06 -178.4 2.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -14.88 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -99.71 29.42 4.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.591 ' CG ' ' HB3' ' A' ' 12' ' ' ALA . 4.7 mt-30 -106.42 138.48 19.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' HG2' ' CG ' ' A' ' 19' ' ' ARG . 54.2 Cg_endo -69.77 166.12 28.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.58 -16.09 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 2.3 t-80 -153.17 111.53 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . 14.1 mtt180 -101.31 93.09 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 10.2 mp0 -72.29 107.34 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.5 t -105.05 144.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -116.64 144.86 43.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.74 159.22 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -98.25 152.58 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.96 120.78 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.24 -6.86 81.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.97 176.79 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -112.62 107.27 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 167.75 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.2 m -156.05 111.42 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 7.4 mt -105.7 98.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -93.82 149.8 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -160.35 132.0 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.48 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 12.4 mt-10 -76.17 162.9 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.75 137.56 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.47 -22.45 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -145.93 140.67 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . . . -76.43 -60.91 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -38.26 -35.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.475 HG21 HG13 ' A' ' 10' ' ' VAL . 27.4 m -57.74 141.74 47.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -104.23 153.93 20.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.4 m -128.19 156.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -139.44 116.86 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.629 ' CD1' HD13 ' A' ' 68' ' ' LEU . 85.7 m95 -73.14 147.7 44.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 80.2 m-85 -139.02 117.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -98.78 115.19 28.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.89 31.05 20.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.36 24.07 57.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 126.82 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 39.9 tttt -56.08 112.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 44' ' ' TRP . 20.8 mt -76.85 140.44 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -118.89 141.92 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.8 p -72.03 110.17 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' LYS . 29.0 m -135.03 168.12 19.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -39.75 -27.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.5 ttmt -83.7 -63.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.46 137.66 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -126.93 121.11 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.61 94.87 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -89.67 138.38 31.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.02 90.05 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.616 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.5 m -96.91 103.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.77 -111.93 2.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 23.2 m -105.58 40.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.616 ' HB ' HG23 ' A' ' 62' ' ' VAL . 7.6 m -145.72 116.47 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.522 ' HG3' HG11 ' A' ' 42' ' ' VAL . 60.9 mmt-85 -104.14 106.45 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -110.54 133.81 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.629 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.6 tp -111.91 110.39 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.72 120.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.8 t -111.18 99.58 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -71.24 146.36 49.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 55.19 49.7 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.88 101.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -122.54 172.18 15.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' GLY . 62.4 mm-40 -36.85 -46.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.29 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' GLY . 36.7 mm-40 -75.91 -29.45 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.621 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -63.02 130.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.72 -121.77 0.85 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.29 106.28 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CD2' HD11 ' A' ' 51' ' ' LEU . 18.4 m-85 -90.39 144.02 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 m -129.68 108.35 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.19 88.81 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' HA ' ' CB ' ' A' ' 89' ' ' GLN . 13.5 tt0 -76.86 151.5 35.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.55 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . . . -169.66 110.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.87 -91.99 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.41 4.84 4.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -127.91 165.11 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.47 ' CB ' ' HA ' ' A' ' 84' ' ' GLU . 5.1 pt20 -165.87 137.28 3.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -94.61 -175.2 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 28.9 t -126.67 155.6 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 91' ' ' SER . 79.4 m-85 -158.07 106.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -86.66 104.57 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.4 tp -87.63 105.33 17.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 78' ' ' ALA . 79.5 t -111.64 126.01 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.875 0.369 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 86' ' ' GLY . 98.6 t -121.15 -25.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.1 -175.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.98 -179.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -21.48 9.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -97.67 34.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.455 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.3 pt20 -130.77 144.13 52.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 152.53 69.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.82 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.47 130.86 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -122.67 152.75 40.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -102.93 145.17 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -138.47 134.79 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -118.07 141.58 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.81 176.54 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -114.22 157.38 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.65 119.93 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.18 -13.14 67.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 173.05 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -110.87 102.4 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -69.06 170.82 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m -160.12 112.78 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 92' ' ' PHE . 9.3 mt -105.62 96.8 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -90.33 150.77 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 p -160.43 124.91 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.74 161.92 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.29 148.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -144.36 136.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.4 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -42.45 -24.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.8 m -65.97 130.71 44.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -90.43 152.57 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.0 m -127.9 174.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 m -159.99 112.95 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.669 ' CD1' HD13 ' A' ' 68' ' ' LEU . 85.7 m95 -69.77 155.18 40.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.1 m-85 -145.34 124.67 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -103.01 120.02 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 44.38 40.99 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.6 36.66 53.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -134.55 117.5 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 72.2 tttt -52.8 120.8 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 44' ' ' TRP . 15.6 mt -82.47 150.75 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 54' ' ' SER . 39.1 t -130.31 99.08 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 59' ' ' VAL . 87.7 p -40.24 93.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' SER . 3.8 m -107.84 175.22 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -40.8 -29.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -81.09 -67.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.79 134.2 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -125.31 130.19 51.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 68' ' ' LEU . 57.3 t -93.74 107.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.24 143.09 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.9 90.11 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.755 HG23 ' HB ' ' A' ' 65' ' ' THR . 2.3 m -104.85 179.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.39 104.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 58.0 m 34.29 54.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.755 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.4 m -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.588 ' HG3' HG11 ' A' ' 42' ' ' VAL . 85.0 mmt-85 -102.49 96.82 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -104.41 135.17 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.669 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.5 tp -108.77 102.57 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.77 110.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 98.9 t -100.39 104.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.89 147.78 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 47.61 50.27 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.54 104.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.5 171.7 13.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 94.1 mm-40 -36.87 -51.85 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.6 -56.26 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' HG2' ' CG1' ' A' ' 70' ' ' VAL . 25.4 mp0 -59.15 -26.82 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.692 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -68.91 120.66 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.77 -139.54 4.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -119.24 124.96 48.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -114.36 127.25 55.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -116.24 111.56 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.8 t -84.09 98.09 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -87.27 131.33 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.84 -0.89 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.407 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 141.4 86.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.94 -39.86 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -107.03 158.26 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -162.63 134.43 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.455 HD11 ' OE1' ' A' ' 15' ' ' GLN . 12.0 mt -87.8 142.28 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.93 138.35 31.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' HB3' HD22 ' A' ' 31' ' ' LEU . 59.0 m-85 -139.44 106.27 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -84.55 106.98 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 tp -93.84 125.55 38.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -114.37 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.692 HG23 ' HB2' ' A' ' 78' ' ' ALA . 87.4 t -129.57 154.6 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' HG12 ' A' ' 96' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 59.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.882 0.372 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 85' ' ' ALA . 5.7 t -108.01 -41.97 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 73.5 m-85 -103.47 175.51 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.781 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -64.2 143.54 57.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.44 70.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.68 29.56 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.781 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 26.1 mm-40 -80.65 137.89 51.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.13 3.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.74 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -144.02 127.07 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -117.85 97.75 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.6 102.23 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.28 154.1 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -131.93 161.28 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.8 162.26 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -100.76 152.5 20.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 119.35 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 -10.92 73.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.81 -176.42 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.6 p -122.56 103.22 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.73 176.44 5.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.8 m -159.69 110.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 mt -100.97 97.2 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -90.3 151.92 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.94 122.47 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.499 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 25.9 mt-10 -68.66 164.57 21.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.19 141.4 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -16.93 62.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -148.3 151.12 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.51 -59.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -42.58 -35.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.5 m -55.52 134.92 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -101.24 152.82 20.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 85' ' ' ALA . 5.8 m -125.91 156.92 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 79.7 m -136.82 107.85 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.636 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.2 m95 -63.64 153.84 34.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -143.38 132.7 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.673 ' HB2' HD21 ' A' ' 51' ' ' LEU . 50.3 tttm -116.18 108.38 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 59.68 40.66 19.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.1 38.91 84.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -140.96 121.55 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -52.28 119.73 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.673 HD21 ' HB2' ' A' ' 46' ' ' LYS . 10.5 mt -83.05 152.93 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -120.73 148.9 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 p -89.54 113.78 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -142.15 178.64 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -40.7 -38.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -71.45 -70.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.8 t -94.09 134.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -125.08 119.79 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.733 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.9 t -94.18 111.76 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -107.4 146.44 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.12 93.49 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.73 HG23 ' HB ' ' A' ' 65' ' ' THR . 27.8 m -102.23 106.36 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.31 -106.58 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.9 m -112.15 39.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.73 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.7 m -139.04 114.99 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -105.43 102.31 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -108.0 148.22 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.733 ' CD1' HG22 ' A' ' 59' ' ' VAL . 6.3 tp -126.36 101.35 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.45 122.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 77' ' ' GLU . 85.7 t -108.15 95.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -64.68 138.06 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 58.77 54.25 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.27 100.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.51 ' C ' HG21 ' A' ' 96' ' ' VAL . . . -122.68 179.73 16.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -41.8 -37.35 1.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -54.83 22.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.624 ' HB3' HG11 ' A' ' 70' ' ' VAL . 8.3 mp0 -64.63 -24.85 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.762 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -66.92 121.14 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.69 -144.79 6.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -121.94 110.43 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -97.78 126.53 43.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.7 m -115.95 111.59 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -80.21 92.96 5.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -79.79 154.36 28.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.537 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -168.42 116.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.45 -85.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.22 4.34 3.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 9' ' ' VAL . 48.1 mt-30 -123.98 163.1 22.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.733 0.301 . . . . 0.0 110.901 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -161.51 138.03 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -100.41 174.5 6.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.53 141.75 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -145.82 109.75 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -89.33 129.17 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.0 tp -113.97 115.5 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -105.33 141.78 36.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.762 HG23 ' HB2' ' A' ' 78' ' ' ALA . 69.9 t -109.62 134.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 11' ' ' PHE . 60.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.867 0.365 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 84.1 t -94.33 -35.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 79.6 m-85 -100.48 -175.15 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -175.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.97 -16.94 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -101.88 28.93 5.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -122.94 146.4 48.41 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 159.92 51.66 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.54 71.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -143.21 127.7 17.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 82.3 mtt180 -107.46 155.27 20.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.74 115.85 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.27 136.8 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -119.53 141.89 48.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.31 173.85 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -107.37 166.76 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.34 116.31 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.67 66.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.73 169.13 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -104.06 102.03 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.69 174.53 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 m -160.66 114.15 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.14 97.51 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -91.65 152.52 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -160.28 125.49 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -72.8 163.66 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.28 167.14 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 11' ' ' PHE . . . -85.78 -26.25 25.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.81 128.6 15.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.74 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -54.39 -22.53 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.9 m -78.3 151.05 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -109.58 155.45 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.593 HG12 ' HB2' ' A' ' 85' ' ' ALA . 5.7 m -129.28 155.03 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 m -132.88 115.07 14.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.0 m95 -70.71 149.19 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -143.54 113.9 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' LYS . 29.9 tttm -99.01 136.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 t70 40.15 32.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.49 38.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' LYS . 12.2 ptpt -129.7 139.2 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -71.48 106.95 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' A' ' 44' ' ' TRP . 11.8 mt -73.67 159.62 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -139.75 130.82 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.1 t -64.48 104.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' VAL . 8.1 t -127.23 169.45 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -37.95 -34.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -77.43 -60.08 2.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.2 t -105.67 129.11 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -119.33 124.1 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.682 HG22 ' CD1' ' A' ' 68' ' ' LEU . 90.5 t -93.49 100.59 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.19 139.75 30.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.82 85.29 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.78 HG23 ' HB ' ' A' ' 65' ' ' THR . 2.5 m -90.83 -176.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.66 104.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.0 m 38.35 53.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.78 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.1 m -159.99 118.54 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -110.04 105.75 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -110.87 132.45 54.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.682 ' CD1' HG22 ' A' ' 59' ' ' VAL . 4.7 tp -108.77 105.36 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 t -87.08 114.22 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.55 97.84 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -70.28 141.87 52.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 58.9 47.82 11.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.42 110.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.42 172.6 18.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 31.1 mm-40 -34.68 -57.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.84 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -64.21 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.584 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -67.56 123.37 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.4 -128.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.25 113.64 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -98.44 129.63 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -123.28 110.8 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.1 t -86.88 93.61 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -73.68 154.97 39.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.673 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.97 110.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.88 -90.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.9 20.75 3.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -143.18 171.63 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -166.44 131.16 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.46 147.89 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.69 151.51 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 60.2 m-85 -152.56 111.65 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -87.72 121.82 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.44 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 37.1 tp -106.5 103.31 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.418 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 69.2 mt-30 -91.06 131.36 36.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.584 HG23 ' HB2' ' A' ' 78' ' ' ALA . 91.1 t -113.84 127.05 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.872 0.368 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.645 HG21 ' O ' ' A' ' 85' ' ' ALA . 97.9 t -105.97 -46.52 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -101.77 176.89 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.959 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -51.89 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -103.61 -18.52 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.88 21.39 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.959 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 27.6 mm-40 -66.13 136.68 95.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 113.19 3.29 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.1 -38.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.476 ' C ' ' ND1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -157.48 117.66 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -102.7 149.37 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -107.45 126.89 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.36 138.41 50.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -120.58 155.46 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.82 172.97 15.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -107.44 161.99 14.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.47 118.37 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -13.87 65.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.17 -175.72 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -120.46 106.14 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.86 176.8 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.6 m -161.05 107.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.5 98.28 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -89.65 158.64 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -170.89 131.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.5 ' N ' HE22 ' A' ' 15' ' ' GLN . 12.1 mt-10 -76.6 169.56 18.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -144.84 143.8 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.35 -18.02 47.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -150.5 151.4 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.77 -56.93 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -46.63 -27.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -57.85 150.51 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.34 149.05 38.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.542 HG12 ' HB2' ' A' ' 85' ' ' ALA . 4.4 m -129.67 152.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 69.6 m -131.7 109.8 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CD1' HD13 ' A' ' 68' ' ' LEU . 87.8 m95 -64.36 153.88 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 91.4 m-85 -147.62 120.86 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -99.06 102.77 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t0 66.0 33.71 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.93 71.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -111.79 120.47 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.8 tttm -57.71 113.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.453 HD12 ' HB3' ' A' ' 44' ' ' TRP . 32.1 mt -78.05 150.42 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 t -126.68 138.33 53.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.7 p -68.4 130.31 42.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -158.98 171.27 20.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 m -43.33 -26.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -81.04 -68.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.02 139.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -128.24 121.19 28.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.49 95.45 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 7.8 mt-10 -88.35 135.6 33.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.67 102.36 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.778 HG23 ' HB ' ' A' ' 65' ' ' THR . 30.5 m -112.77 108.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.6 -105.93 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.91 27.95 9.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.778 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.5 m -129.22 119.83 24.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.8 mmt-85 -112.02 106.24 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.6 ptm180 -109.95 145.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.605 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.6 tp -122.16 103.43 8.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -83.87 121.14 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.404 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 90.1 t -108.91 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -69.48 138.47 53.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 62.04 44.72 7.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.0 106.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -130.31 173.12 20.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 97.0 mm-40 -34.43 -53.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.63 -52.45 13.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 62.1 mm-40 -69.46 -32.41 71.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.78 127.84 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.78 -119.63 0.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -147.15 109.32 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.05 139.53 31.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 m -128.98 110.2 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.94 98.31 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.93 152.72 23.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.645 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -175.03 112.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.76 -94.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.24 12.49 3.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -135.8 169.71 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -166.93 135.4 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -92.71 176.1 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.6 141.77 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -143.94 105.17 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.17 119.62 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.1 tp -102.04 112.11 24.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -103.55 141.57 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 97' ' ' ALA . 64.7 t -121.68 136.55 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 96' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.916 0.388 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.874 HG21 ' HA3' ' A' ' 86' ' ' GLY . 59.6 t -109.56 -35.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.719 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 32.3 m-85 -100.68 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.11 179.99 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.83 -20.68 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -96.29 30.22 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' OE1' HD21 ' A' ' 90' ' ' LEU . 4.1 pt20 -124.82 139.82 34.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.55 0.691 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 140.83 43.7 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.46 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.94 127.08 37.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -111.96 139.74 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -96.67 131.94 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.2 140.93 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 23' ' ' ALA . 37.4 tt0 -120.62 156.26 32.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 22' ' ' GLN . . . -163.72 167.69 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -99.57 168.78 9.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -76.35 120.78 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 -5.16 69.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.18 -176.39 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -116.64 95.06 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -65.75 171.91 3.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.3 m -159.72 120.47 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -112.93 99.21 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -94.65 148.82 21.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.97 119.06 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -64.73 160.46 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -136.86 152.21 28.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -75.95 -15.62 60.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -152.19 126.15 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . . . -69.92 -33.19 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.2 -15.85 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -81.18 138.54 35.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.99 153.21 18.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.567 HG12 ' HB2' ' A' ' 85' ' ' ALA . 2.9 m -128.96 157.79 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.4 m -138.48 111.11 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CD1' HD13 ' A' ' 68' ' ' LEU . 89.1 m95 -67.09 154.88 40.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.412 ' CE2' ' OE1' ' A' ' 84' ' ' GLU . 76.6 m-85 -145.12 122.83 11.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HB2' HD21 ' A' ' 51' ' ' LEU . 44.3 tttm -104.73 123.3 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 49.09 40.07 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.6 34.37 67.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -133.83 137.53 45.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -65.93 122.79 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 46' ' ' LYS . 23.8 mt -89.0 145.67 25.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.2 t -118.34 149.85 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 p -83.05 105.01 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -129.78 173.69 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.6 p -42.51 -27.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -82.12 -69.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.6 t -92.42 138.65 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -129.21 119.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 68' ' ' LEU . 88.6 t -92.1 99.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -91.91 142.71 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.54 101.71 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.795 HG23 ' HB ' ' A' ' 65' ' ' THR . 11.7 m -116.09 -176.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.95 102.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' GLY . 84.8 m 34.3 50.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.795 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.4 m -152.45 116.21 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -109.72 104.84 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -107.69 144.2 35.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.4 tp -120.41 101.27 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -82.5 114.59 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 97.7 t -102.31 102.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -72.91 143.5 47.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 54.58 52.64 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.22 106.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -122.55 174.38 16.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' GLY . 89.9 mm-40 -37.88 -50.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.67 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -63.91 -34.12 77.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -61.71 119.83 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.01 -130.34 1.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -136.59 116.46 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.32 130.34 47.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 m -117.04 110.43 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.3 t -83.37 86.94 6.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' OE1' ' CE2' ' A' ' 45' ' ' TYR . 24.7 tt0 -69.44 139.61 54.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.719 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.64 116.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.874 ' HA3' HG21 ' A' ' 10' ' ' VAL . . . 62.96 42.17 99.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.84 -22.61 5.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.402 ' NE2' ' H ' ' A' ' 10' ' ' VAL . 38.3 mt-30 -89.1 -179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.93 126.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.417 HD21 ' OE1' ' A' ' 15' ' ' GLN . 12.6 mt -96.71 134.08 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.93 146.42 28.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -148.1 105.68 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 130.96 35.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.4 tp -114.81 114.36 25.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -102.48 130.61 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 78' ' ' ALA . 60.3 t -111.36 137.22 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 67.3 t -105.13 -37.97 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 27.4 m-85 -97.91 -176.02 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.16 176.77 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -21.71 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.61 39.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.438 ' OE1' HD11 ' A' ' 90' ' ' LEU . 2.9 pt20 -130.9 142.48 45.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HG2' ' CG ' ' A' ' 19' ' ' ARG . 53.5 Cg_endo -69.84 154.46 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.22 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -143.52 131.23 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.526 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 41.5 mtt180 -112.95 158.1 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -111.42 124.56 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 t -124.47 143.6 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -130.82 172.7 11.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' GLN . . . -174.65 179.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -111.43 153.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.55 118.84 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.58 -27.05 20.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 173.17 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -111.78 110.01 20.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.3 178.51 7.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.5 m -161.61 113.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 92' ' ' PHE . 13.6 mt -102.65 97.66 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -92.95 147.46 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 21.6 p -154.36 131.18 10.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.55 160.59 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.2 156.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -79.48 -19.67 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -138.03 174.24 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.9 -56.78 2.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -56.44 -14.62 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -72.04 129.12 37.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.86 155.65 16.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 85' ' ' ALA . 4.3 m -129.1 155.14 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 74.6 m -131.84 103.58 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CD1' HD13 ' A' ' 68' ' ' LEU . 94.6 m95 -59.29 155.92 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.1 m-85 -148.87 113.95 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HD2' ' CZ ' ' A' ' 81' ' ' TYR . 19.4 tttm -92.85 129.42 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 25.6 t70 40.64 37.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.1 36.83 44.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' LYS . 18.8 mtpt -133.28 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -68.49 122.2 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' ' 44' ' ' TRP . 10.5 mt -87.51 157.05 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -132.58 122.15 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -59.95 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' SER . 18.9 m -119.45 164.64 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -35.85 -34.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 54' ' ' SER . 45.0 tttt -74.37 -58.42 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -109.23 134.22 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -124.18 132.17 53.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.8 t -93.41 92.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -87.38 135.92 33.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.13 89.71 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.529 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.4 m -95.65 115.54 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.75 -115.73 2.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.4 m -102.33 37.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.529 ' HB ' HG23 ' A' ' 62' ' ' VAL . 15.5 m -142.98 128.83 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -115.98 110.54 19.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -109.61 147.84 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.9 tp -123.62 101.36 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.95 118.05 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 75.4 t -106.82 99.52 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -71.65 142.56 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 57.48 48.88 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.0 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -117.03 173.0 14.49 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 9.2 mm-40 -34.34 -54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.68 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.441 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 9.1 mm-40 -56.58 -39.42 73.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.735 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.48 131.73 51.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.41 -138.15 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.461 ' CG ' ' HG3' ' A' ' 93' ' ' ARG . 34.3 mt-10 -131.43 108.67 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 23.0 m-85 -89.66 157.38 18.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.0 m -140.51 113.64 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 47.2 t -89.51 97.15 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.3 tt0 -79.47 149.45 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.455 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -171.66 111.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.83 -82.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.95 25.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -139.55 146.86 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.497 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 17.9 mt-30 -139.47 126.62 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 ' OE1' ' A' ' 15' ' ' GLN . 15.6 mt -101.68 133.78 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.15 134.12 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CE1' ' HD2' ' A' ' 19' ' ' ARG . 59.0 m-85 -135.03 90.17 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.461 ' HG3' ' CG ' ' A' ' 80' ' ' GLU . 2.8 ttt85 -72.71 129.63 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.1 tp -113.64 127.48 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 51.7 mt-30 -113.54 132.66 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.735 HG23 ' HB2' ' A' ' 78' ' ' ALA . 84.3 t -109.3 133.25 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.2 t -101.22 -36.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.23 168.22 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.904 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -54.27 152.34 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -69.58 -34.13 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 23.41 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.904 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 23.2 mm-40 -72.9 138.55 79.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.559 0.695 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.85 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -154.13 112.25 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 4.6 mtp85 -86.7 167.2 14.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -131.58 102.4 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.488 HG21 ' CD2' ' A' ' 31' ' ' LEU . 85.8 t -98.72 148.47 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -133.52 140.78 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.96 -179.71 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.36 152.09 36.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.77 117.03 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.44 -7.93 71.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -176.98 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 t -116.84 111.89 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.597 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -81.61 173.22 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -161.05 115.5 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' CD2' HG21 ' A' ' 21' ' ' VAL . 10.5 mt -109.59 97.41 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.5 t -90.39 150.62 21.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -160.77 125.12 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' N ' HE22 ' A' ' 15' ' ' GLN . 20.8 mt-10 -69.66 167.0 17.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.31 132.83 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.53 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -140.72 142.9 34.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 -54.09 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -45.7 -33.0 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -59.76 137.53 58.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -97.71 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.87 155.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 94.3 m -137.29 109.5 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' CD1' HD13 ' A' ' 68' ' ' LEU . 90.9 m95 -63.96 152.71 39.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 43' ' ' THR . 62.8 m-85 -142.19 115.94 9.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HB2' HD11 ' A' ' 51' ' ' LEU . 42.3 tttt -98.97 112.89 24.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 t0 56.67 41.01 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.68 71.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -134.82 130.02 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -59.72 123.78 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 46' ' ' LYS . 20.1 mt -91.23 146.05 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -121.56 142.89 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 109.58 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -134.21 166.41 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 m -43.64 -25.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -85.53 -51.8 6.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.9 t -111.43 132.61 59.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -123.75 121.81 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.608 HG22 ' CD1' ' A' ' 68' ' ' LEU . 89.4 t -92.49 95.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -89.69 135.9 33.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.39 89.73 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.551 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.4 m -99.64 122.57 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.46 -107.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 82.8 m -111.65 45.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 62' ' ' VAL . 4.0 m -149.81 112.97 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -104.81 101.49 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -104.81 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.662 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.2 tp -123.67 102.22 7.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.7 t -81.77 119.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.597 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 72.3 t -102.71 93.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -65.86 143.5 57.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 51.72 50.48 18.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.99 104.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.16 171.41 14.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.449 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -41.97 -36.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.929 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.54 77.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -19.18 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.678 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -71.11 130.17 40.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.04 -115.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -154.41 107.76 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -94.54 135.21 36.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -124.63 117.28 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.05 93.98 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -80.61 152.96 28.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.09 107.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.08 -91.02 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.61 5.4 3.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -126.83 166.5 17.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -168.16 128.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.08 175.38 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.49 143.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -142.8 106.17 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -83.97 111.26 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.4 tp -96.7 113.67 25.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -99.59 148.11 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.678 HG23 ' HB2' ' A' ' 78' ' ' ALA . 96.2 t -127.5 127.0 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.3 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.844 0.354 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.412 HG13 HG21 ' A' ' 40' ' ' THR . 45.8 t -115.14 -31.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 65.4 m-85 -110.73 172.63 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -63.51 144.47 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.86 35.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.591 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 29.0 mm-40 -87.75 133.15 38.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' ALA . 54.3 Cg_endo -69.7 109.0 2.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -35.39 -37.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.01 118.0 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -103.04 160.28 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -120.61 127.25 51.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.8 t -119.99 137.86 52.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -118.53 148.55 42.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.12 171.03 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.87 160.24 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 119.26 10.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.02 -13.14 65.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.15 -177.11 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -120.67 100.49 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -67.7 167.4 13.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.622 HG21 HH21 ' A' ' 67' ' ' ARG . 49.0 m -157.38 111.89 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -103.06 97.07 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -92.34 145.53 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -154.06 130.36 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.479 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 40.2 mt-10 -70.6 162.04 29.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.5 143.99 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.98 -27.57 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -141.24 136.23 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.85 -49.1 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.6 -28.48 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.412 HG21 HG13 ' A' ' 10' ' ' VAL . 7.4 m -64.86 143.85 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -104.79 146.34 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.558 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.3 m -123.77 151.78 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.7 m -132.03 119.96 21.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.567 ' CD1' HD13 ' A' ' 68' ' ' LEU . 87.9 m95 -74.59 156.68 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.496 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 78.1 m-85 -148.7 114.89 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.639 ' HB2' HD11 ' A' ' 51' ' ' LEU . 23.6 tttm -98.6 120.82 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 50.1 44.53 25.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.89 40.05 97.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -138.3 122.83 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 60.5 tttm -51.28 118.86 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 46' ' ' LYS . 28.7 mt -87.94 136.11 33.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' SER . 30.8 t -120.84 109.05 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.4 p -38.87 97.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.3 p -105.11 171.46 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.0 m -46.16 -22.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.27 -47.0 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -108.95 132.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -124.18 129.24 50.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.531 HG22 ' CD1' ' A' ' 68' ' ' LEU . 60.1 t -95.12 102.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.4 mp0 -90.5 156.41 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.6 107.4 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.797 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.6 m -120.55 -176.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.21 104.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLY . 94.8 m 34.35 48.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.797 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.5 m -151.43 125.53 9.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 84.7 mmt-85 -119.1 114.94 23.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.622 HH21 HG21 ' A' ' 30' ' ' THR . 9.2 ptm180 -118.51 142.29 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.7 tp -116.04 101.8 9.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.4 t -82.14 123.6 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 40.9 t -113.4 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -66.65 148.92 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 47.04 51.59 12.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 103.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.28 170.14 13.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 41.1 mm-40 -37.37 -49.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.48 46.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.78 -27.77 69.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.538 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -63.9 122.49 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.38 -151.1 10.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -115.54 106.46 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -93.52 133.45 36.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.7 m -117.86 124.03 47.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 97.01 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -83.75 157.04 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.558 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -174.66 111.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.3 -89.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.39 10.13 3.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -132.53 165.74 23.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.502 ' CD ' ' C ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -160.1 156.27 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.26 174.58 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.32 138.03 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -141.83 106.45 4.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -83.91 127.62 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 tp -111.82 106.66 15.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -98.78 135.93 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 78' ' ' ALA . 98.9 t -116.56 127.1 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.83 0.348 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -100.02 -41.26 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 85' ' ' ALA . 74.2 m-85 -105.15 -178.66 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -62.46 175.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.95 -20.26 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -99.27 31.76 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.545 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.3 pt20 -127.54 143.22 46.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 146.59 61.15 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.26 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.46 128.41 37.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -113.24 143.49 44.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -93.14 142.23 27.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 31' ' ' LEU . 91.8 t -135.28 148.28 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -134.79 153.48 52.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.18 170.73 21.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 126.29 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.64 -19.34 41.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 171.71 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -109.12 106.69 16.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.53 168.03 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.3 m -154.3 118.58 4.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 21' ' ' VAL . 19.5 mt -108.83 96.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -91.62 146.27 23.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 27.3 p -154.89 134.92 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -80.98 160.82 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.81 160.26 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.44 -27.46 34.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -134.59 156.19 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.84 -63.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -45.11 -25.05 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.7 m -62.99 117.28 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.02 153.51 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.35 163.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.6 m -147.99 106.11 3.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.565 ' CD1' HD13 ' A' ' 68' ' ' LEU . 88.2 m95 -60.3 153.93 21.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.0 m-85 -147.79 117.42 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.498 ' HB2' HD21 ' A' ' 51' ' ' LEU . 39.6 tttp -98.65 133.59 42.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 41.1 40.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.32 39.69 87.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -138.3 142.77 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -68.09 118.97 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 46' ' ' LYS . 10.5 mt -83.75 159.23 21.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.2 t -121.07 152.79 38.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.9 p -98.21 83.63 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 55' ' ' SER . 2.1 t -112.71 168.43 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.1 m -34.68 -40.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.39 -64.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.21 134.02 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.65 124.23 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -89.85 98.95 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 27.3 mm-40 -95.1 143.06 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.72 92.21 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.624 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.0 m -97.58 109.19 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.6 -114.31 2.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.0 m -102.6 39.38 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.624 ' HB ' HG23 ' A' ' 62' ' ' VAL . 17.6 m -145.84 129.12 16.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 mmt-85 -115.36 112.92 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.407 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 28.5 ptt180 -110.86 145.66 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -122.6 103.06 8.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.7 119.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 95.6 t -109.0 100.35 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.43 147.77 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 49.63 46.09 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 112.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -125.77 -179.25 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' GLY . 15.4 mp0 -35.08 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.78 -49.28 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.452 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 26.5 mm-40 -60.02 -34.96 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -66.22 124.72 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.28 -127.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -138.77 127.13 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 14.7 m-85 -108.9 137.29 47.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 45' ' ' TYR . 16.1 m -124.41 117.89 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.04 97.04 10.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.6 tt0 -85.43 127.43 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . . . -133.44 10.4 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.46 78.78 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.96 -40.37 2.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.416 ' C ' ' HG3' ' A' ' 89' ' ' GLN . 27.5 mt-30 -94.42 140.94 29.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.494 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 24.2 mt-30 -146.56 123.85 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.545 HD11 ' OE1' ' A' ' 15' ' ' GLN . 22.4 mt -93.41 125.87 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.72 135.35 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 57.1 m-85 -134.97 95.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.446 ' NE ' ' HG3' ' A' ' 95' ' ' GLN . 1.7 tmm_? -72.4 122.49 21.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.9 tp -110.24 117.74 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.446 ' HG3' ' NE ' ' A' ' 93' ' ' ARG . 49.8 mt-30 -107.06 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.1 t -109.54 138.21 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.909 0.385 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.79 HG11 ' HB3' ' A' ' 85' ' ' ALA . 21.3 t -106.45 -33.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.72 165.03 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -50.28 169.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -25.45 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -95.17 32.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.58 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 30.7 mm-40 -88.67 137.46 30.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.68 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.36 -30.29 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 29.4 t-80 -147.37 105.21 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -101.36 93.86 5.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.578 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 13.7 mt-10 -75.98 111.35 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.5 t -106.06 133.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -106.34 152.66 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.21 176.68 12.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -113.44 151.72 31.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.32 116.04 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.03 -17.92 56.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.05 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 m -117.03 98.61 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 176.64 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -162.06 112.85 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -104.71 96.89 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -92.38 158.05 16.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 p -171.71 131.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.485 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 53.7 mt-10 -71.11 165.62 23.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 4.4 m -140.18 145.27 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.5 -19.28 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -153.73 141.88 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -71.94 -68.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' ALA . 8.4 tt0 -34.43 -43.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -41.91 133.46 2.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 147.11 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.666 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.4 m -124.99 167.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m -154.48 109.32 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CD1' HD13 ' A' ' 68' ' ' LEU . 77.3 m95 -68.82 148.87 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 65.5 m-85 -137.65 124.87 21.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -104.03 124.05 48.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 43.66 41.36 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.78 38.5 56.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -136.41 132.58 35.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.9 tttt -61.61 115.91 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -81.49 147.25 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -126.21 147.72 49.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -78.78 74.41 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' SER . 3.4 p -87.93 167.94 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 6.0 t -37.51 -34.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -81.94 -61.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.52 129.63 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -128.4 114.69 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.5 t -87.49 108.47 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -100.54 138.25 37.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 97.1 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.848 HG23 ' HB ' ' A' ' 65' ' ' THR . 16.4 m -109.17 -175.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.51 102.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 89.5 m 33.77 46.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.848 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.0 m -147.07 118.82 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.666 ' HG3' HG11 ' A' ' 42' ' ' VAL . 75.1 mmt-85 -109.41 104.24 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -109.23 135.23 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.792 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.1 tp -112.2 104.35 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.6 t -86.62 109.31 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.05 93.06 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.97 133.21 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.83 54.22 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.49 106.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.24 167.83 12.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' GLY . 68.4 mm-40 -34.88 -46.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.03 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.8 mm-40 -61.4 -39.74 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.561 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.08 128.7 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.71 -120.09 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -141.72 114.25 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -101.25 135.55 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -124.23 114.83 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.8 t -88.89 98.54 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -91.5 128.37 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.79 ' HB3' HG11 ' A' ' 10' ' ' VAL . . . -122.67 10.41 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.531 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 122.51 92.73 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.19 -41.11 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -108.19 149.49 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -161.89 126.35 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.7 mt -83.57 163.86 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.9 146.12 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -143.13 110.39 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -86.7 106.77 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.1 tp -95.42 126.28 40.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -120.07 134.43 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 78' ' ' ALA . 79.6 t -107.64 133.29 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.845 0.355 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.614 HG21 ' O ' ' A' ' 85' ' ' ALA . 60.2 t -104.37 -39.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 61.9 m-85 -104.8 170.52 7.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -57.27 171.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -33.02 16.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -92.19 29.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.832 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 27.2 mm-40 -77.06 131.86 71.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.496 ' HG3' ' NE ' ' A' ' 19' ' ' ARG . 53.9 Cg_endo -69.79 112.47 3.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.18 -29.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 4.4 t-80 -147.08 139.83 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 16.9 mtt-85 -126.7 90.25 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 2.0 mp0 -66.08 107.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.2 143.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -116.16 159.12 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.12 170.59 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -114.57 152.14 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -56.66 116.7 3.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -6.64 66.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.02 173.83 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.9 p -112.11 99.37 8.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.43 172.4 6.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.9 m -160.97 109.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 mt -102.71 97.13 7.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -92.9 151.85 19.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.3 p -158.86 132.68 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 32.3 mt-10 -70.1 159.88 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.1 131.43 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.42 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -149.9 136.38 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -72.88 -63.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 29.8 pt20 -35.59 -36.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.483 HG21 HG13 ' A' ' 10' ' ' VAL . 98.8 m -53.27 150.17 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -109.16 153.44 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.88 162.02 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.2 m -143.98 108.44 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.621 ' CD1' HD13 ' A' ' 68' ' ' LEU . 90.2 m95 -65.12 150.33 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 60.4 m-85 -140.07 116.98 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.678 ' HB2' HD21 ' A' ' 51' ' ' LEU . 41.0 tttm -92.83 127.09 38.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.28 42.88 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.26 36.58 70.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -138.33 131.01 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 57.4 tttt -58.48 120.02 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.678 HD21 ' HB2' ' A' ' 46' ' ' LYS . 11.1 mt -82.91 175.35 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -151.72 126.55 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 94.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' SER . 24.2 p -110.7 167.45 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.9 m -36.02 -35.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 77' ' ' GLU . 26.0 ttmt -80.92 -65.63 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.29 131.63 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -126.28 121.96 34.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG22 ' CD1' ' A' ' 68' ' ' LEU . 61.7 t -92.02 103.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 7.6 mt-10 -98.07 138.78 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.87 90.5 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.74 HG23 ' HB ' ' A' ' 65' ' ' THR . 1.6 m -96.99 -179.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -36.04 107.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 42.7 m 34.09 47.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.74 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.2 m -153.52 121.07 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 72.9 mmt-85 -110.79 108.96 18.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 9.9 ptm180 -111.28 144.37 40.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.621 HD13 ' CD1' ' A' ' 44' ' ' TRP . 4.9 tp -118.47 98.31 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.6 t -80.91 115.97 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -105.59 102.07 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -71.1 146.55 49.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 48.62 50.86 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 102.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.73 171.62 13.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 10.2 mm-40 -35.14 -53.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.87 -57.89 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 3.8 mm-40 -55.49 -38.95 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -53.16 132.44 38.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.71 -141.37 6.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.39 105.0 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -84.09 161.25 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' TYR . 20.3 m -143.55 110.49 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 53.0 t -86.96 94.79 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -81.85 155.31 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.614 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -174.62 110.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.88 -95.27 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.59 27.35 3.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -147.64 166.66 26.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -166.44 125.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 mt -95.43 154.0 17.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.525 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 29.2 t -97.1 155.65 16.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 47.0 m-85 -154.73 105.33 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -85.92 132.87 33.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.9 tp -116.02 114.69 24.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -99.94 144.84 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 78' ' ' ALA . 61.5 t -128.51 134.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 69.6 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.893 0.378 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 86' ' ' GLY . 15.4 t -107.99 -30.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 85.6 m-85 -114.91 162.39 16.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -48.44 166.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.126 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -21.44 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.6 46.16 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.642 ' OE1' HD11 ' A' ' 90' ' ' LEU . 15.2 mt-30 -115.52 142.26 28.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 146.65 60.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.1 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -149.41 117.85 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -97.26 149.84 21.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -112.5 103.2 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.53 HG21 ' CD2' ' A' ' 31' ' ' LEU . 97.0 t -93.29 137.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.47 141.08 52.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.85 -175.84 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -120.57 157.37 29.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 117.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -30.0 11.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.5 -176.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -129.04 102.47 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.55 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -154.07 108.23 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.53 ' CD2' HG21 ' A' ' 21' ' ' VAL . 6.0 mt -95.9 98.18 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -89.02 159.54 17.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -173.12 134.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.12 171.7 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.49 141.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.72 -15.34 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -158.52 138.59 12.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.87 -53.7 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -42.2 -30.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -63.67 131.83 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.16 149.05 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.2 m -123.11 174.49 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.9 m -161.24 105.7 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.716 ' CD1' HD13 ' A' ' 68' ' ' LEU . 79.3 m95 -64.24 149.67 47.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 55.9 m-85 -138.62 121.16 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HB2' HD21 ' A' ' 51' ' ' LEU . 31.6 tttm -105.3 120.93 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 47.63 44.99 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.08 40.84 97.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -139.76 121.3 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 30.0 ttmt -54.23 105.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 46' ' ' LYS . 27.2 mt -66.31 142.43 57.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -113.47 129.0 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 p -67.47 96.36 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -126.53 170.61 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -37.84 -36.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -70.03 -62.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.409 ' CG1' HD11 ' A' ' 68' ' ' LEU . 54.0 t -106.07 131.23 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttm-85 -118.62 115.84 25.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.5 t -83.64 93.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 18.2 mm-40 -85.89 136.27 33.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.91 100.23 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.828 HG23 ' HB ' ' A' ' 65' ' ' THR . 6.1 m -113.07 -179.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.81 108.93 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 63' ' ' GLY . 15.8 p 33.61 47.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.391 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.828 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.1 m -153.49 121.64 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.56 ' HG3' HG11 ' A' ' 42' ' ' VAL . 78.5 mmt-85 -117.36 108.16 15.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.9 ptm180 -111.15 143.12 42.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.716 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.8 tp -118.88 103.84 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.1 t -83.15 117.37 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.3 t -102.7 92.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -65.97 140.9 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 57.27 49.42 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.96 100.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.49 173.43 14.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -38.11 -54.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.18 -42.94 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.37 -33.91 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.71 121.07 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.23 -137.52 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.433 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -128.87 105.11 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -91.88 126.14 36.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.425 ' HB3' ' CD ' ' A' ' 89' ' ' GLN . 25.5 m -116.34 125.67 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.1 t -96.08 102.09 13.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -93.87 134.91 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' HG11 ' A' ' 10' ' ' VAL . . . -131.84 -0.67 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.545 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 139.67 83.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.58 -38.24 2.29 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -103.73 154.7 19.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -171.43 137.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.642 HD11 ' OE1' ' A' ' 15' ' ' GLN . 12.7 mt -94.97 168.85 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.03 136.38 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -133.61 88.11 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' VAL . 11.2 tpp85 -65.76 115.4 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.2 tp -101.09 115.18 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -105.25 146.58 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.8 t -124.57 131.29 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 56.1 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.7 HG21 ' O ' ' A' ' 85' ' ' ALA . 97.8 t -97.31 -40.49 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 47.2 m-85 -104.99 163.17 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.21 175.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -17.91 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -99.01 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.546 ' OE1' HD11 ' A' ' 90' ' ' LEU . 13.6 mt-30 -121.47 134.85 24.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.554 0.692 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' HIS . 53.8 Cg_endo -69.77 128.43 16.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.06 -25.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -160.01 121.77 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -103.37 144.44 31.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.58 134.75 45.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.7 t -131.97 133.57 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -117.67 148.86 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.09 174.8 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -106.41 156.6 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 120.03 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.64 -13.83 66.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.46 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -117.51 109.4 16.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.9 176.85 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -164.79 105.47 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.85 97.4 9.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -92.25 153.77 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.9 p -163.89 131.09 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 23.5 mt-10 -71.62 158.72 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.58 131.83 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.85 -22.74 10.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -145.59 141.86 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -39.27 -35.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -54.85 138.44 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -103.14 149.57 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.7 m -125.06 164.25 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -148.55 107.52 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.785 ' CD1' HD13 ' A' ' 68' ' ' LEU . 82.8 m95 -65.32 154.18 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 70.8 m-85 -144.02 116.8 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -99.94 118.72 36.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 52.01 38.7 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.59 37.39 68.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -140.62 112.24 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 10.7 ttpt -44.23 127.65 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 44' ' ' TRP . 34.1 mt -86.87 145.08 26.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.5 t -117.57 126.05 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 t -65.35 89.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.9 m -113.54 172.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t -40.23 -29.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -81.66 -62.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' SER . 31.2 t -103.1 135.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -130.04 124.87 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.692 HG22 HD12 ' A' ' 68' ' ' LEU . 61.0 t -91.91 95.07 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -89.34 134.69 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.37 95.81 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.634 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.6 m -98.15 103.43 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.58 -110.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.1 m -107.41 39.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.634 ' HB ' HG23 ' A' ' 62' ' ' VAL . 8.7 m -143.78 116.87 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -103.73 116.69 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -119.42 144.7 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.785 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -118.9 99.12 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.3 t -80.19 116.26 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -105.1 97.19 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -70.5 142.47 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 57.71 49.24 12.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.16 100.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.89 172.52 14.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' GLY . 74.5 mm-40 -34.75 -55.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.69 -53.04 34.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -58.11 -38.69 76.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.13 120.86 9.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.34 -129.57 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -135.84 109.81 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 51' ' ' LEU . 11.6 m-85 -95.53 126.14 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 110.51 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.54 94.65 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.493 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.8 tt0 -82.14 142.5 32.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.7 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -169.51 110.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.02 -80.52 0.95 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.81 16.67 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -130.85 156.04 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.493 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 35.6 mt-30 -145.61 131.69 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.546 HD11 ' OE1' ' A' ' 15' ' ' GLN . 77.0 mt -106.69 123.55 48.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.24 133.84 38.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -132.1 96.36 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -72.14 118.9 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.1 tp -110.16 108.49 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -100.25 146.72 26.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 78' ' ' ALA . 62.3 t -117.46 140.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 85' ' ' ALA . 18.2 t -105.96 -33.48 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 96.4 m-85 -111.8 166.46 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . . . -54.54 -179.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -102.31 -34.55 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.75 49.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.591 ' NE2' ' HB3' ' A' ' 12' ' ' ALA . 12.1 mt-30 -119.26 139.63 27.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.08 9.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.55 -26.31 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.37 124.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.552 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 4.7 ptm180 -115.83 163.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -126.08 103.18 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.85 151.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -114.9 161.46 18.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.26 162.11 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -104.61 153.84 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.72 114.84 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.44 61.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.6 -175.17 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -123.03 105.93 10.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 173.95 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -159.27 106.68 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 mt -103.97 102.54 12.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -103.62 160.65 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.0 p -168.28 136.53 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.64 162.62 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.9 145.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -19.09 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -147.36 139.68 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -77.17 -62.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ALA . 23.2 pt20 -36.91 -39.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.446 HG21 HG13 ' A' ' 10' ' ' VAL . 89.5 m -48.5 147.02 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -107.9 158.4 17.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 85' ' ' ALA . 2.7 m -138.25 163.04 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.3 m -147.61 113.94 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CD1' HD13 ' A' ' 68' ' ' LEU . 89.5 m95 -69.53 149.99 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 97.4 m-85 -143.46 120.39 11.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HB2' HD21 ' A' ' 51' ' ' LEU . 28.9 tttm -98.34 104.77 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t0 66.36 30.44 8.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.11 71.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 10.1 mptt -107.66 131.85 53.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 61.4 tttm -66.86 109.39 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 46' ' ' LYS . 12.3 mt -73.39 151.06 41.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -125.11 119.75 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.9 p -55.09 100.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.3 t -132.21 168.42 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' SER . 54.2 m -34.5 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -61.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.1 t -108.3 132.73 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -116.73 119.56 35.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 68' ' ' LEU . 98.9 t -91.18 101.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -102.7 140.86 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.31 88.45 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.568 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.2 m -94.14 109.36 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.97 -108.22 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.4 p -111.35 35.33 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.568 ' HB ' HG23 ' A' ' 62' ' ' VAL . 5.3 m -139.13 109.7 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -99.61 103.85 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -105.38 144.18 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.0 tp -124.77 106.49 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.4 t -86.14 123.1 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.7 t -109.13 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -68.54 147.12 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 50.21 54.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.96 101.24 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.479 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -124.58 179.26 16.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 38.9 mm-40 -35.53 -53.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.23 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -63.12 -34.71 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.648 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -61.69 120.89 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.43 -134.4 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -134.78 98.98 4.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -84.31 133.54 34.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.3 m -124.42 111.27 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 42.7 t -84.28 92.37 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -75.27 151.44 38.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -171.08 106.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.01 -87.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.481 ' H ' HG21 ' A' ' 10' ' ' VAL . . . -139.05 4.32 2.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -124.86 168.03 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -171.0 131.61 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.521 HD11 ' OE1' ' A' ' 15' ' ' GLN . 25.4 mt -94.51 155.63 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.28 147.02 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE2' ' HD3' ' A' ' 19' ' ' ARG . 48.5 m-85 -141.53 105.26 4.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -88.52 94.06 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -81.81 126.55 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -113.17 132.92 55.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 78' ' ' ALA . 92.2 t -104.18 124.69 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.874 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 99.2 t -117.57 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.455 ' CD1' HG12 ' A' ' 35' ' ' VAL . 41.8 m-85 -103.07 178.14 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -62.94 174.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -18.95 12.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -105.72 36.67 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.512 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.4 pt20 -126.47 146.49 56.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.18 59.22 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.36 87.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 1.2 t60 -144.36 123.22 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.493 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mtp-105 -106.97 174.39 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -124.65 101.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.13 138.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.75 173.48 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.98 -179.44 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -107.89 167.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -75.47 117.66 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.16 -17.46 57.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.53 171.05 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -108.63 102.92 11.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -74.22 177.81 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.6 m -161.68 109.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.04 96.19 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.5 t -91.86 148.72 22.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 26.9 p -156.35 134.48 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.89 162.08 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 11' ' ' PHE . 5.6 m -136.85 163.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -82.02 -23.55 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -150.25 131.8 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -64.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.0 pt20 -35.96 -39.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -53.24 147.72 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.6 156.11 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.696 HG12 ' HB2' ' A' ' 85' ' ' ALA . 8.3 m -133.51 156.11 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 109.36 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.586 ' HB3' HD12 ' A' ' 51' ' ' LEU . 84.5 m95 -64.08 155.87 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.2 m-85 -149.66 112.94 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.79 121.88 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 47.66 41.96 14.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.62 37.37 84.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -138.05 117.93 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 34.9 ttmt -44.12 127.57 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.586 HD12 ' HB3' ' A' ' 44' ' ' TRP . 15.4 mt -94.81 137.1 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -119.14 118.92 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.879 ' HB3' HG12 ' A' ' 59' ' ' VAL . 82.9 p -58.8 85.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.5 m -100.82 172.21 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 30.3 t -37.16 -39.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 7.5 mtpm? -68.65 -64.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.99 133.18 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -128.65 109.91 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.879 HG12 ' HB3' ' A' ' 53' ' ' SER . 7.1 p -85.47 121.41 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -107.57 157.56 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.23 115.54 15.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.741 HG23 ' HB ' ' A' ' 65' ' ' THR . 16.3 m -128.26 -174.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' VAL . . . -32.26 98.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' GLY . 74.0 m 34.09 50.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.741 ' HB ' HG23 ' A' ' 62' ' ' VAL . 23.9 m -151.71 116.09 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.74 109.99 22.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -108.33 150.89 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.738 HD12 ' HB ' ' A' ' 59' ' ' VAL . 3.8 tp -125.24 96.42 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.2 103.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 84.4 t -95.01 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 21.7 mm-40 -74.71 150.66 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 49.16 43.86 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.71 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -123.23 176.82 16.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 74' ' ' GLY . 14.4 mp0 -33.78 -61.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.31 -39.03 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.39 120.18 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.92 -144.09 6.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -119.82 99.58 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.41 ' CD2' HD11 ' A' ' 51' ' ' LEU . 57.4 m-85 -83.72 128.31 34.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.8 m -120.6 112.8 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.35 93.14 9.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.82 150.98 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.696 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -168.08 105.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.75 -89.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.04 25.99 3.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -142.97 173.3 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -169.76 138.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD21 ' OE1' ' A' ' 15' ' ' GLN . 9.3 mt -107.52 135.75 48.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.39 134.92 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 52.1 m-85 -134.64 91.01 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -72.78 103.55 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.54 121.09 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -103.37 154.1 19.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.655 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.7 t -130.22 142.94 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 89.7 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 40' ' ' THR . 56.4 t -91.72 -39.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 92.9 m-85 -112.88 154.65 26.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -45.89 172.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -23.82 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -94.93 35.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 34' ' ' GLU . 33.8 mm-40 -90.89 130.87 39.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.81 -33.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' C ' ' ND1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -162.97 118.32 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -103.88 149.13 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.33 123.94 49.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.02 131.42 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -116.53 143.86 45.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.16 179.51 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -112.08 156.86 21.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.7 121.28 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.03 -12.18 70.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 174.69 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -114.1 103.76 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.96 173.55 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.0 m -158.25 110.64 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -100.58 97.05 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -94.09 152.95 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -160.71 138.55 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 38.5 mt-10 -77.31 162.43 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 6.2 m -139.54 153.43 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.11 -24.23 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -144.06 146.41 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.07 -57.11 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -44.16 -25.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.468 HG21 HG13 ' A' ' 10' ' ' VAL . 52.5 m -67.22 140.86 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -108.22 155.45 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.1 m -131.27 161.31 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.4 m -139.69 107.87 5.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.764 ' CD1' HD13 ' A' ' 68' ' ' LEU . 80.1 m95 -64.69 146.49 54.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 61.6 m-85 -136.64 115.53 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HB2' HD21 ' A' ' 51' ' ' LEU . 7.7 tttm -97.6 131.6 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.3 t70 39.57 39.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.01 39.07 74.36 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LYS . 40.3 mttm -137.59 123.76 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 88.5 tttt -52.61 121.66 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 44' ' ' TRP . 17.7 mt -86.96 145.55 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 t -130.95 114.44 15.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.64 ' HB3' HG12 ' A' ' 59' ' ' VAL . 10.9 p -52.68 108.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' VAL . 2.7 m -126.95 178.98 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -47.79 -21.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -89.82 -50.14 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' SER . 87.3 t -114.3 135.43 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -130.55 112.58 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.799 ' HB ' HD12 ' A' ' 68' ' ' LEU . 7.5 p -95.65 109.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.33 152.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.27 89.72 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.566 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.4 m -98.4 110.09 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.03 -112.97 1.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 m -106.79 42.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.566 ' HB ' HG23 ' A' ' 62' ' ' VAL . 14.2 m -145.12 121.71 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -111.44 112.79 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -112.73 143.02 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.799 HD12 ' HB ' ' A' ' 59' ' ' VAL . 4.6 tp -119.67 98.15 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.4 111.81 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.504 HG12 ' OE1' ' A' ' 77' ' ' GLU . 80.0 t -103.42 104.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.31 147.78 47.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 50.26 52.09 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 98.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.65 173.9 14.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.514 ' NE2' ' H ' ' A' ' 75' ' ' GLN . 2.2 mp0 -34.29 -65.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.48 -46.21 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.504 ' OE1' HG12 ' A' ' 70' ' ' VAL . 6.4 mt-10 -68.69 -30.36 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.866 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -69.51 123.96 22.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.87 -127.66 1.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.4 107.03 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -91.3 134.51 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.0 m -121.25 113.25 19.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.94 91.11 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.76 152.69 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.576 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -173.96 111.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.49 -88.58 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 5.8 2.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.439 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -128.06 166.36 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.496 ' CD ' ' C ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -163.52 155.07 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -122.71 147.69 46.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.48 136.63 33.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.18 90.37 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.06 120.03 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.9 tp -109.41 114.52 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.53 153.53 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 78' ' ' ALA . 76.1 t -127.01 126.66 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -106.22 -38.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.445 ' CD1' HG12 ' A' ' 35' ' ' VAL . 50.9 m-85 -97.65 -176.23 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -177.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -16.71 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -106.45 36.43 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.617 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.4 pt20 -128.0 142.37 44.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.44 23.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.72 -46.33 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 91' ' ' SER . 0.6 OUTLIER -135.26 125.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.69 155.69 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -105.3 136.73 44.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -130.68 130.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -114.22 151.9 32.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.63 171.45 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -109.15 152.24 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 122.03 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.83 -18.91 56.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.44 169.79 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -108.21 100.94 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.15 166.36 21.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.2 m -151.83 109.0 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.6 96.73 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 t -89.48 149.57 22.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 26.3 p -157.24 133.88 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.75 162.03 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 11' ' ' PHE . 15.6 m -138.71 157.26 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.44 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.87 148.34 41.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.33 -63.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 40' ' ' THR . 10.5 pt20 -40.87 -39.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.481 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 53.2 m -48.88 131.95 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -97.44 144.94 26.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.7 172.01 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.8 m -155.28 110.95 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.577 ' CD1' HD13 ' A' ' 68' ' ' LEU . 79.4 m95 -67.94 148.62 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 62.2 m-85 -139.07 118.38 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB2' HD21 ' A' ' 51' ' ' LEU . 39.5 tttt -100.13 135.2 41.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 39.55 31.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 35.24 33.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' LYS . 37.0 pttt -130.81 140.23 50.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 32.0 tttp -67.73 108.98 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 46' ' ' LYS . 17.3 mt -77.44 168.66 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -157.83 131.61 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -55.75 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.6 p -98.97 177.3 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.1 t -47.11 -22.55 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.19 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.55 137.82 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ttm-85 -126.65 113.64 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG22 ' CD1' ' A' ' 68' ' ' LEU . 89.0 t -88.78 100.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -92.05 137.06 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 98.39 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.29 112.01 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.5 -115.79 4.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.3 42.88 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -144.56 131.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -125.2 105.42 9.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -109.08 142.44 39.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 44' ' ' TRP . 4.7 tp -116.0 105.39 12.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.1 108.6 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.8 t -98.19 101.47 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -69.9 145.71 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 53.58 47.65 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.04 104.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.588 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -122.67 178.49 16.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.48 -51.44 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.28 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -39.86 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.703 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -54.21 121.14 7.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.56 -142.28 4.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -122.45 109.91 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -99.06 126.9 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -116.73 124.04 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.6 t -95.97 97.75 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.499 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 3.1 tt0 -84.19 132.38 34.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.7 2.78 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.43 -98.09 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -103.56 17.16 51.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -149.21 154.64 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.499 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 29.5 mt-30 -146.94 123.0 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.617 HD11 ' OE1' ' A' ' 15' ' ' GLN . 39.6 mt -88.78 133.13 34.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 18' ' ' HIS . 0.7 OUTLIER -91.02 134.62 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 58.8 m-85 -134.55 89.6 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -70.49 115.85 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.01 118.11 36.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -107.46 137.38 45.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' A' ' 78' ' ' ALA . 92.9 t -111.17 139.17 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 93.9 t -107.06 -32.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CD1' HG12 ' A' ' 35' ' ' VAL . 61.0 m-85 -114.08 -177.22 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.83 -175.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -116.43 -32.21 5.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -90.01 36.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.462 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.5 pt20 -129.67 142.41 45.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.65 67.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.48 127.65 24.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -118.38 147.31 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.76 138.25 33.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -130.14 134.72 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -117.54 153.2 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.44 171.42 20.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -107.73 154.96 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 122.4 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.63 -10.94 73.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.17 172.39 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.2 p -109.44 98.47 7.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.14 165.87 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.5 m -152.45 106.41 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.63 96.54 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -90.48 149.86 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 p -160.13 129.17 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -77.34 164.18 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.573 HG12 ' CD1' ' A' ' 11' ' ' PHE . 2.5 m -137.52 174.76 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -25.62 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -149.56 123.07 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.88 -26.56 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -67.21 146.71 53.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 2.6 mp0 -102.08 162.59 12.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.4 m -138.9 172.33 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -158.68 106.99 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.714 ' CD1' HD13 ' A' ' 68' ' ' LEU . 86.1 m95 -64.52 155.95 31.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -146.75 117.92 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -101.32 118.53 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 48.74 43.41 20.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 37.84 86.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -135.28 124.55 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -56.54 112.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' A' ' 44' ' ' TRP . 24.2 mt -76.2 145.02 40.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.5 t -118.51 146.96 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.807 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -84.09 87.32 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -111.29 170.82 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 t -39.42 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.9 tppt? -80.89 -62.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 70' ' ' VAL . 60.5 t -104.1 137.35 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.6 ttm-85 -133.03 128.0 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.4 t -90.91 99.51 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.6 mp0 -92.95 140.17 29.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.24 93.0 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.473 HG23 ' HB ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -102.89 -175.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.3 100.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' GLY . 71.8 m 34.33 52.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.473 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.2 m -157.2 111.75 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 42' ' ' VAL . 71.4 mmt-85 -101.47 108.74 20.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 25.1 ptt180 -110.62 145.1 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.714 HD13 ' CD1' ' A' ' 44' ' ' TRP . 7.2 tp -118.66 107.74 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -89.45 113.58 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 57' ' ' VAL . 98.7 t -105.51 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.81 138.2 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 61.02 44.58 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.13 99.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -114.73 176.13 16.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 74' ' ' GLY . 7.8 mp0 -34.47 -66.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.67 -54.69 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.58 -41.05 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -60.0 122.08 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.41 -126.29 1.01 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -136.22 110.75 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -96.78 133.73 40.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.6 m -125.16 108.93 12.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.1 t -83.72 94.97 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.6 132.76 33.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.481 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -128.48 12.44 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.414 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 122.38 91.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.52 -40.78 2.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -107.15 158.58 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -165.13 124.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD11 ' OE1' ' A' ' 15' ' ' GLN . 10.0 mt -81.82 143.34 31.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.49 134.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -134.18 97.29 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -75.66 115.74 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -100.11 123.25 44.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -115.95 140.34 49.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.73 HG23 ' HB2' ' A' ' 78' ' ' ALA . 94.8 t -114.74 147.26 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 11' ' ' PHE . 40.1 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.852 0.358 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.579 HG21 ' H ' ' A' ' 87' ' ' GLY . 29.2 t -98.68 -41.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 63.5 m-85 -106.23 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.549 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -68.37 144.11 54.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -28.81 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.68 31.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.549 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 31.3 mm-40 -87.44 136.45 33.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.81 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -167.91 119.03 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.521 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 12.7 mtp180 -99.47 162.7 12.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -124.41 105.01 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.42 142.16 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.82 146.47 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.86 -179.79 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -109.69 165.61 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 116.47 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.23 -13.27 68.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.68 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.3 p -122.0 96.76 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.76 171.12 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.4 m -160.56 110.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.16 99.09 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 t -91.95 153.75 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -163.98 134.19 4.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' N ' HE22 ' A' ' 15' ' ' GLN . 13.7 mt-10 -76.84 162.24 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.13 143.06 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.91 41.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -151.36 130.44 12.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.22 16.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -58.74 -15.42 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 m -71.82 150.57 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.01 160.99 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' HB2' ' A' ' 85' ' ' ALA . 11.3 m -138.22 169.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 88.6 m -151.95 108.55 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.71 ' CD1' HD13 ' A' ' 68' ' ' LEU . 75.2 m95 -67.28 151.33 47.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 50' ' ' LYS . 96.3 m-85 -142.74 121.36 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HB2' HD21 ' A' ' 51' ' ' LEU . 17.1 tttm -94.58 106.04 18.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 t70 62.52 28.63 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.54 64.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -102.82 128.76 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . 13.3 ttmm -61.93 107.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 46' ' ' LYS . 29.1 mt -75.78 142.08 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -118.56 138.73 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -72.28 103.01 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' VAL . 6.0 t -126.76 172.53 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -36.8 -38.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -77.6 -68.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . 26.1 t -90.47 129.99 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -125.71 124.75 41.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.1 t -91.13 96.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -88.6 136.54 32.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.16 90.02 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.732 HG23 ' HB ' ' A' ' 65' ' ' THR . 1.8 m -102.7 -176.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -40.22 106.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 1.5 p 34.45 54.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.732 ' HB ' HG23 ' A' ' 62' ' ' VAL . 6.4 m -159.78 114.38 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -107.65 102.48 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -108.45 131.57 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.9 tp -108.75 101.15 10.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.71 121.1 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -107.13 95.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -67.66 137.44 55.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 60.45 54.2 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.58 110.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.35 169.58 18.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' GLY . 6.8 mm-40 -37.43 -41.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.979 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.66 -52.63 64.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -67.13 -32.01 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.578 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -57.86 125.53 23.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.27 -131.29 1.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -132.7 116.17 16.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -102.29 139.11 38.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 m -126.75 118.24 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.75 91.84 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.72 153.89 28.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.751 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -174.61 138.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.75 -87.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.579 ' H ' HG21 ' A' ' 10' ' ' VAL . . . -143.63 11.29 2.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -131.05 173.06 11.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -163.86 141.74 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.8 176.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -119.11 149.21 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 91' ' ' SER . 65.4 m-85 -154.27 105.43 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -82.36 127.84 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.3 tp -113.15 120.15 40.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -107.8 154.41 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 78' ' ' ALA . 89.0 t -133.21 138.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -102.66 118.44 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -158.35 157.64 32.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.85 120.62 2.43 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -64.05 166.42 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 p -140.35 171.0 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.72 73.86 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -107.63 119.47 39.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 11' ' ' PHE . 62.7 t -110.75 125.82 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 85' ' ' ALA . 41.7 t -93.91 -50.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 85' ' ' ALA . 96.4 m-85 -96.86 -178.72 4.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -73.06 -178.4 2.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 -14.88 14.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -99.71 29.42 4.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.591 ' CG ' ' HB3' ' A' ' 12' ' ' ALA . 4.7 mt-30 -106.42 138.48 19.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' HG2' ' CG ' ' A' ' 19' ' ' ARG . 54.2 Cg_endo -69.77 166.12 28.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.58 -16.09 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 2.3 t-80 -153.17 111.53 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HB2' ' CD2' ' A' ' 92' ' ' PHE . 14.1 mtt180 -101.31 93.09 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 10.2 mp0 -72.29 107.34 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.5 t -105.05 144.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -116.64 144.86 43.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.74 159.22 43.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -98.25 152.58 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.96 120.78 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.24 -6.86 81.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.97 176.79 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -112.62 107.27 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 167.75 20.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.2 m -156.05 111.42 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 7.4 mt -105.7 98.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -93.82 149.8 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 p -160.35 132.0 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.48 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 12.4 mt-10 -76.17 162.9 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 m -137.75 137.56 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.47 -22.45 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.065 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -145.93 140.67 27.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . . . -76.43 -60.91 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -38.26 -35.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.475 HG21 HG13 ' A' ' 10' ' ' VAL . 27.4 m -57.74 141.74 47.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -104.23 153.93 20.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.4 m -128.19 156.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -139.44 116.86 11.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.629 ' CD1' HD13 ' A' ' 68' ' ' LEU . 85.7 m95 -73.14 147.7 44.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 80.2 m-85 -139.02 117.76 12.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -98.78 115.19 28.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.89 31.05 20.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.36 24.07 57.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 126.82 49.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 39.9 tttt -56.08 112.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 44' ' ' TRP . 20.8 mt -76.85 140.44 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -118.89 141.92 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 92.8 p -72.03 110.17 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' LYS . 29.0 m -135.03 168.12 19.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.5 p -39.75 -27.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' SER . 17.5 ttmt -83.7 -63.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.46 137.66 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -126.93 121.11 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.61 94.87 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -89.67 138.38 31.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.02 90.05 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.616 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.5 m -96.91 103.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.77 -111.93 2.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 23.2 m -105.58 40.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.616 ' HB ' HG23 ' A' ' 62' ' ' VAL . 7.6 m -145.72 116.47 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.522 ' HG3' HG11 ' A' ' 42' ' ' VAL . 60.9 mmt-85 -104.14 106.45 16.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -110.54 133.81 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.629 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.6 tp -111.91 110.39 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.72 120.43 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.8 t -111.18 99.58 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -71.24 146.36 49.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 55.19 49.7 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.88 101.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLU . . . -122.54 172.18 15.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' GLY . 62.4 mm-40 -36.85 -46.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.63 -45.29 77.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' GLY . 36.7 mm-40 -75.91 -29.45 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.621 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -63.02 130.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.066 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.72 -121.77 0.85 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.29 106.28 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CD2' HD11 ' A' ' 51' ' ' LEU . 18.4 m-85 -90.39 144.02 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 m -129.68 108.35 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.19 88.81 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' HA ' ' CB ' ' A' ' 89' ' ' GLN . 13.5 tt0 -76.86 151.5 35.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.55 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . . . -169.66 110.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.87 -91.99 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.41 4.84 4.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -127.91 165.11 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.47 ' CB ' ' HA ' ' A' ' 84' ' ' GLU . 5.1 pt20 -165.87 137.28 3.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -94.61 -175.2 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 28.9 t -126.67 155.6 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 91' ' ' SER . 79.4 m-85 -158.07 106.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -86.66 104.57 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.4 tp -87.63 105.33 17.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 78' ' ' ALA . 79.5 t -111.64 126.01 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.92 150.87 21.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.95 -156.66 12.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -151.77 169.04 23.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.341 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' PHE . 3.8 t -156.67 118.16 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 3.9 p90 -36.95 141.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -139.14 152.85 47.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -92.0 105.35 17.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.3 -177.21 41.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -68.5 101.53 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.851 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -43.82 -54.36 5.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.0 166.84 18.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -154.42 156.15 36.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -119.09 136.68 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 86' ' ' GLY . 98.6 t -121.15 -25.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.1 -175.21 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.98 -179.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -21.48 9.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -97.67 34.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.455 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.3 pt20 -130.77 144.13 52.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 152.53 69.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.82 95.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.47 130.86 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -122.67 152.75 40.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -102.93 145.17 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -138.47 134.79 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -118.07 141.58 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.81 176.54 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -114.22 157.38 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB2' ' C ' ' A' ' 98' ' ' GLY . . . -63.65 119.93 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.18 -13.14 67.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 173.05 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 t -110.87 102.4 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -69.06 170.82 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m -160.12 112.78 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 92' ' ' PHE . 9.3 mt -105.62 96.8 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -90.33 150.77 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 p -160.43 124.91 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -69.74 161.92 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.29 148.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -144.36 136.27 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.4 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -42.45 -24.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ALA . 3.8 m -65.97 130.71 44.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -90.43 152.57 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.0 m -127.9 174.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.2 m -159.99 112.95 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.669 ' CD1' HD13 ' A' ' 68' ' ' LEU . 85.7 m95 -69.77 155.18 40.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.1 m-85 -145.34 124.67 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -103.01 120.02 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 44.38 40.99 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.6 36.66 53.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -134.55 117.5 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 72.2 tttt -52.8 120.8 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 44' ' ' TRP . 15.6 mt -82.47 150.75 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 54' ' ' SER . 39.1 t -130.31 99.08 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 59' ' ' VAL . 87.7 p -40.24 93.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' SER . 3.8 m -107.84 175.22 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -40.8 -29.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -81.09 -67.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.79 134.2 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -125.31 130.19 51.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 68' ' ' LEU . 57.3 t -93.74 107.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.24 143.09 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.9 90.11 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.755 HG23 ' HB ' ' A' ' 65' ' ' THR . 2.3 m -104.85 179.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.39 104.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 58.0 m 34.29 54.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.755 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.4 m -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.588 ' HG3' HG11 ' A' ' 42' ' ' VAL . 85.0 mmt-85 -102.49 96.82 7.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -104.41 135.17 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.669 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.5 tp -108.77 102.57 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.77 110.96 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 98.9 t -100.39 104.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.89 147.78 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 47.61 50.27 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.54 104.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.5 171.7 13.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 94.1 mm-40 -36.87 -51.85 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.6 -56.26 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' HG2' ' CG1' ' A' ' 70' ' ' VAL . 25.4 mp0 -59.15 -26.82 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.692 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -68.91 120.66 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.77 -139.54 4.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -119.24 124.96 48.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -114.36 127.25 55.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.0 m -116.24 111.56 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.8 t -84.09 98.09 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -87.27 131.33 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.84 -0.89 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.407 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 141.4 86.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.94 -39.86 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -107.03 158.26 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -162.63 134.43 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.455 HD11 ' OE1' ' A' ' 15' ' ' GLN . 12.0 mt -87.8 142.28 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.93 138.35 31.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' HB3' HD22 ' A' ' 31' ' ' LEU . 59.0 m-85 -139.44 106.27 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -84.55 106.98 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 tp -93.84 125.55 38.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -114.37 156.05 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.692 HG23 ' HB2' ' A' ' 78' ' ' ALA . 87.4 t -129.57 154.6 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' N ' HG12 ' A' ' 96' ' ' VAL . . . -128.24 89.16 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 25' ' ' ALA . . . 126.43 -161.02 20.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.01 156.23 48.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.96 112.22 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -59.02 125.62 24.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 p -113.71 -51.96 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -108.37 100.2 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.75 -72.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -92.82 41.34 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -51.68 117.44 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.35 174.7 41.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -63.58 132.66 51.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 59.2 t -106.47 127.92 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 85' ' ' ALA . 5.7 t -108.01 -41.97 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 73.5 m-85 -103.47 175.51 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.781 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -64.2 143.54 57.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.44 70.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.68 29.56 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.781 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 26.1 mm-40 -80.65 137.89 51.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.13 3.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.85 -30.74 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -144.02 127.07 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -117.85 97.75 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.6 102.23 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 t -102.28 154.1 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -131.93 161.28 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.8 162.26 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -100.76 152.5 20.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 119.35 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 -10.92 73.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.542 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.81 -176.42 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.6 p -122.56 103.22 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.73 176.44 5.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.8 m -159.69 110.39 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 mt -100.97 97.2 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t -90.3 151.92 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.94 122.47 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 25.9 mt-10 -68.66 164.57 21.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.19 141.4 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -16.93 62.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -148.3 151.12 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.51 -59.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -42.58 -35.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.5 m -55.52 134.92 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -101.24 152.82 20.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 85' ' ' ALA . 5.8 m -125.91 156.92 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 79.7 m -136.82 107.85 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.636 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.2 m95 -63.64 153.84 34.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -143.38 132.7 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.673 ' HB2' HD21 ' A' ' 51' ' ' LEU . 50.3 tttm -116.18 108.38 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 59.68 40.66 19.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.1 38.91 84.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -140.96 121.55 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -52.28 119.73 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.673 HD21 ' HB2' ' A' ' 46' ' ' LYS . 10.5 mt -83.05 152.93 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -120.73 148.9 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.5 p -89.54 113.78 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -142.15 178.64 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -40.7 -38.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -71.45 -70.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.8 t -94.09 134.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -125.08 119.79 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.733 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.9 t -94.18 111.76 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -107.4 146.44 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.12 93.49 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.73 HG23 ' HB ' ' A' ' 65' ' ' THR . 27.8 m -102.23 106.36 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.31 -106.58 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.9 m -112.15 39.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.73 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.7 m -139.04 114.99 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.0 mmt-85 -105.43 102.31 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -108.0 148.22 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.733 ' CD1' HG22 ' A' ' 59' ' ' VAL . 6.3 tp -126.36 101.35 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.45 122.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.179 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 77' ' ' GLU . 85.7 t -108.15 95.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -64.68 138.06 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 58.77 54.25 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.27 100.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.51 ' C ' HG21 ' A' ' 96' ' ' VAL . . . -122.68 179.73 16.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -41.8 -37.35 1.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.52 -54.83 22.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.624 ' HB3' HG11 ' A' ' 70' ' ' VAL . 8.3 mp0 -64.63 -24.85 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.762 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -66.92 121.14 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.69 -144.79 6.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -121.94 110.43 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -97.78 126.53 43.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.7 m -115.95 111.59 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -80.21 92.96 5.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -79.79 154.36 28.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -168.42 116.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.45 -85.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.22 4.34 3.14 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 9' ' ' VAL . 48.1 mt-30 -123.98 163.1 22.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.733 0.301 . . . . 0.0 110.901 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -161.51 138.03 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -100.41 174.5 6.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.53 141.75 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -145.82 109.75 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -89.33 129.17 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.0 tp -113.97 115.5 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -105.33 141.78 36.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.762 HG23 ' HB2' ' A' ' 78' ' ' ALA . 69.9 t -109.62 134.95 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.15 109.47 18.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.22 -54.44 0.57 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 51.04 43.75 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 38.8 t -120.22 105.5 11.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -85.13 117.12 23.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.479 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 m -150.18 111.53 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -80.34 103.32 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.37 -172.66 42.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 m -123.14 143.87 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m 49.51 39.33 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.19 146.92 19.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -134.33 133.02 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 11' ' ' PHE . 60.3 t -102.66 134.18 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 84.1 t -94.33 -35.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 79.6 m-85 -100.48 -175.15 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.52 -175.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.97 -16.94 7.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -101.88 28.93 5.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -122.94 146.4 48.41 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.562 0.696 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 159.92 51.66 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.54 71.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.438 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -143.21 127.7 17.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 82.3 mtt180 -107.46 155.27 20.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.74 115.85 27.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.27 136.8 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -119.53 141.89 48.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.31 173.85 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -107.37 166.76 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.34 116.31 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.67 66.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.73 169.13 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.7 p -104.06 102.03 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.69 174.53 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 m -160.66 114.15 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.14 97.51 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -91.65 152.52 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -160.28 125.49 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -72.8 163.66 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 m -138.28 167.14 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 11' ' ' PHE . . . -85.78 -26.25 25.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.81 128.6 15.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.74 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -54.39 -22.53 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.9 m -78.3 151.05 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -109.58 155.45 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.593 HG12 ' HB2' ' A' ' 85' ' ' ALA . 5.7 m -129.28 155.03 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 m -132.88 115.07 14.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CD1' HD13 ' A' ' 68' ' ' LEU . 91.0 m95 -70.71 149.19 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -143.54 113.9 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' LYS . 29.9 tttm -99.01 136.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 t70 40.15 32.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.49 38.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' LYS . 12.2 ptpt -129.7 139.2 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -71.48 106.95 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' A' ' 44' ' ' TRP . 11.8 mt -73.67 159.62 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -139.75 130.82 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.1 t -64.48 104.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' VAL . 8.1 t -127.23 169.45 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -37.95 -34.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -77.43 -60.08 2.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.2 t -105.67 129.11 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -119.33 124.1 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.682 HG22 ' CD1' ' A' ' 68' ' ' LEU . 90.5 t -93.49 100.59 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.19 139.75 30.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.82 85.29 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.78 HG23 ' HB ' ' A' ' 65' ' ' THR . 2.5 m -90.83 -176.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -41.66 104.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.0 m 38.35 53.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.78 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.1 m -159.99 118.54 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -110.04 105.75 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -110.87 132.45 54.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.682 ' CD1' HG22 ' A' ' 59' ' ' VAL . 4.7 tp -108.77 105.36 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 t -87.08 114.22 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.55 97.84 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -70.28 141.87 52.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 58.9 47.82 11.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.42 110.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.42 172.6 18.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 31.1 mm-40 -34.68 -57.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.84 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -64.21 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.584 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -67.56 123.37 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.4 -128.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.25 113.64 12.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -98.44 129.63 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -123.28 110.8 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 52.1 t -86.88 93.61 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -73.68 154.97 39.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.673 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.97 110.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.88 -90.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.9 20.75 3.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -143.18 171.63 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.317 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -166.44 131.16 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 mt -94.46 147.89 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.69 151.51 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 60.2 m-85 -152.56 111.65 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -87.72 121.82 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.44 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 37.1 tp -106.5 103.31 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.418 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 69.2 mt-30 -91.06 131.36 36.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.584 HG23 ' HB2' ' A' ' 78' ' ' ALA . 91.1 t -113.84 127.05 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.04 103.93 8.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.58 -144.16 43.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.427 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -165.0 169.85 15.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.9 t -130.38 152.61 49.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -41.26 -47.52 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -108.68 114.32 28.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -136.41 132.05 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.85 -167.32 11.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -143.93 147.41 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -45.51 133.23 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.47 42.46 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 105.07 8.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -106.86 132.06 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.645 HG21 ' O ' ' A' ' 85' ' ' ALA . 97.9 t -105.97 -46.52 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -101.77 176.89 5.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.959 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -51.89 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -103.61 -18.52 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.88 21.39 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.959 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 27.6 mm-40 -66.13 136.68 95.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 113.19 3.29 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.1 -38.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.476 ' C ' ' ND1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -157.48 117.66 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -102.7 149.37 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -107.45 126.89 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.36 138.41 50.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -120.58 155.46 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.82 172.97 15.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -107.44 161.99 14.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 99' ' ' GLN . . . -68.47 118.37 11.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -13.87 65.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.17 -175.72 3.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -120.46 106.14 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.86 176.8 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.6 m -161.05 107.66 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -99.5 98.28 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -89.65 158.64 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -170.89 131.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.5 ' N ' HE22 ' A' ' 15' ' ' GLN . 12.1 mt-10 -76.6 169.56 18.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -144.84 143.8 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.35 -18.02 47.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -150.5 151.4 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.77 -56.93 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -46.63 -27.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 m -57.85 150.51 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -115.34 149.05 38.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.542 HG12 ' HB2' ' A' ' 85' ' ' ALA . 4.4 m -129.67 152.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 69.6 m -131.7 109.8 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CD1' HD13 ' A' ' 68' ' ' LEU . 87.8 m95 -64.36 153.88 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 91.4 m-85 -147.62 120.86 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -99.06 102.77 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t0 66.0 33.71 7.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.66 16.93 71.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -111.79 120.47 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.8 tttm -57.71 113.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.453 HD12 ' HB3' ' A' ' 44' ' ' TRP . 32.1 mt -78.05 150.42 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 t -126.68 138.33 53.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.7 p -68.4 130.31 42.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -158.98 171.27 20.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.8 m -43.33 -26.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -81.04 -68.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.02 139.83 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -128.24 121.19 28.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.49 95.45 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 7.8 mt-10 -88.35 135.6 33.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.67 102.36 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.778 HG23 ' HB ' ' A' ' 65' ' ' THR . 30.5 m -112.77 108.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.6 -105.93 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.91 27.95 9.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.778 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.5 m -129.22 119.83 24.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.8 mmt-85 -112.02 106.24 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.6 ptm180 -109.95 145.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.6 tp -122.16 103.43 8.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -83.87 121.14 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.404 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 90.1 t -108.91 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -69.48 138.47 53.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 62.04 44.72 7.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.0 106.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -130.31 173.12 20.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 97.0 mm-40 -34.43 -53.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.63 -52.45 13.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 62.1 mm-40 -69.46 -32.41 71.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.78 127.84 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 173.78 -119.63 0.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -147.15 109.32 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.05 139.53 31.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 m -128.98 110.2 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.94 98.31 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.93 152.72 23.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.645 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -175.03 112.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.76 -94.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.24 12.49 3.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -135.8 169.71 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -166.93 135.4 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.3 mt -92.71 176.1 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.6 141.77 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -143.94 105.17 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.17 119.62 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.1 tp -102.04 112.11 24.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -103.55 141.57 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 97' ' ' ALA . 64.7 t -121.68 136.55 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 96' ' ' VAL . . . -75.04 179.27 5.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' GLN . . . -46.95 133.76 11.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.42 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' GLY . 2.1 tt0 -36.73 -45.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 99' ' ' GLN . 2.4 t -37.99 142.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -140.6 124.69 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 53.51 42.18 31.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -119.9 148.95 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.72 91.59 0.59 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -54.08 170.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -49.66 123.93 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.31 131.28 10.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 115.13 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -100.2 135.81 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.874 HG21 ' HA3' ' A' ' 86' ' ' GLY . 59.6 t -109.56 -35.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.719 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 32.3 m-85 -100.68 -179.06 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.11 179.99 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.83 -20.68 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -96.29 30.22 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' OE1' HD21 ' A' ' 90' ' ' LEU . 4.1 pt20 -124.82 139.82 34.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.55 0.691 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 140.83 43.7 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.46 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.94 127.08 37.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -111.96 139.74 47.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -96.67 131.94 42.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -124.2 140.93 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 23' ' ' ALA . 37.4 tt0 -120.62 156.26 32.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 22' ' ' GLN . . . -163.72 167.69 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -99.57 168.78 9.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -76.35 120.78 22.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.07 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 -5.16 69.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.18 -176.39 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -116.64 95.06 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -65.75 171.91 3.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.3 m -159.72 120.47 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -112.93 99.21 7.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -94.65 148.82 21.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.97 119.06 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -64.73 160.46 19.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -136.86 152.21 28.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -75.95 -15.62 60.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -152.19 126.15 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 64' ' ' CYS . . . -69.92 -33.19 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.2 -15.85 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -81.18 138.54 35.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.99 153.21 18.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.567 HG12 ' HB2' ' A' ' 85' ' ' ALA . 2.9 m -128.96 157.79 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.4 m -138.48 111.11 7.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CD1' HD13 ' A' ' 68' ' ' LEU . 89.1 m95 -67.09 154.88 40.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.412 ' CE2' ' OE1' ' A' ' 84' ' ' GLU . 76.6 m-85 -145.12 122.83 11.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HB2' HD21 ' A' ' 51' ' ' LEU . 44.3 tttm -104.73 123.3 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 49.09 40.07 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.6 34.37 67.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -133.83 137.53 45.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -65.93 122.79 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 46' ' ' LYS . 23.8 mt -89.0 145.67 25.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.2 t -118.34 149.85 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 p -83.05 105.01 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -129.78 173.69 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.6 p -42.51 -27.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -82.12 -69.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.6 t -92.42 138.65 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -129.21 119.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 68' ' ' LEU . 88.6 t -92.1 99.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -91.91 142.71 27.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.54 101.71 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.795 HG23 ' HB ' ' A' ' 65' ' ' THR . 11.7 m -116.09 -176.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.95 102.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' GLY . 84.8 m 34.3 50.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.795 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.4 m -152.45 116.21 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -109.72 104.84 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -107.69 144.2 35.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.4 tp -120.41 101.27 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -82.5 114.59 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 97.7 t -102.31 102.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -72.91 143.5 47.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 54.58 52.64 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.22 106.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -122.55 174.38 16.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' GLY . 89.9 mm-40 -37.88 -50.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.03 -49.67 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -63.91 -34.12 77.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -61.71 119.83 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.01 -130.34 1.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -136.59 116.46 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -101.32 130.34 47.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 m -117.04 110.43 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.3 t -83.37 86.94 6.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' OE1' ' CE2' ' A' ' 45' ' ' TYR . 24.7 tt0 -69.44 139.61 54.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.719 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -169.64 116.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.874 ' HA3' HG21 ' A' ' 10' ' ' VAL . . . 62.96 42.17 99.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.84 -22.61 5.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.402 ' NE2' ' H ' ' A' ' 10' ' ' VAL . 38.3 mt-30 -89.1 -179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.93 126.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.417 HD21 ' OE1' ' A' ' 15' ' ' GLN . 12.6 mt -96.71 134.08 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.93 146.42 28.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -148.1 105.68 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 130.96 35.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.4 tp -114.81 114.36 25.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -102.48 130.61 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 78' ' ' ALA . 60.3 t -111.36 137.22 44.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . -77.27 171.14 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 97' ' ' ALA . . . -35.34 120.93 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.449 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 50.1 tt0 -53.76 137.97 36.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 55.2 m -99.25 157.37 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -113.05 132.47 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -95.48 94.15 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -92.05 89.08 6.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.1 81.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -159.87 136.48 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -113.24 151.66 30.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.96 115.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -111.66 140.29 46.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t -119.05 130.24 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 67.3 t -105.13 -37.97 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 27.4 m-85 -97.91 -176.02 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.16 176.77 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -21.71 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.61 39.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.438 ' OE1' HD11 ' A' ' 90' ' ' LEU . 2.9 pt20 -130.9 142.48 45.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HG2' ' CG ' ' A' ' 19' ' ' ARG . 53.5 Cg_endo -69.84 154.46 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.22 78.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -143.52 131.23 21.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.526 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 41.5 mtt180 -112.95 158.1 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -111.42 124.56 52.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 t -124.47 143.6 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -130.82 172.7 11.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' GLN . . . -174.65 179.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -111.43 153.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.55 118.84 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.58 -27.05 20.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 173.17 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.9 p -111.78 110.01 20.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.3 178.51 7.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.5 m -161.61 113.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 92' ' ' PHE . 13.6 mt -102.65 97.66 7.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -92.95 147.46 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 21.6 p -154.36 131.18 10.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.55 160.59 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.2 156.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -79.48 -19.67 49.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -138.03 174.24 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.9 -56.78 2.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -56.44 -14.62 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -72.04 129.12 37.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.86 155.65 16.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 85' ' ' ALA . 4.3 m -129.1 155.14 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 74.6 m -131.84 103.58 6.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CD1' HD13 ' A' ' 68' ' ' LEU . 94.6 m95 -59.29 155.92 13.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.1 m-85 -148.87 113.95 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HD2' ' CZ ' ' A' ' 81' ' ' TYR . 19.4 tttm -92.85 129.42 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 25.6 t70 40.64 37.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.1 36.83 44.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 46' ' ' LYS . 18.8 mtpt -133.28 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -68.49 122.2 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' ' 44' ' ' TRP . 10.5 mt -87.51 157.05 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -132.58 122.15 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -59.95 96.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' SER . 18.9 m -119.45 164.64 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -35.85 -34.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 54' ' ' SER . 45.0 tttt -74.37 -58.42 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -109.23 134.22 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -124.18 132.17 53.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.8 t -93.41 92.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -87.38 135.92 33.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.13 89.71 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.529 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.4 m -95.65 115.54 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.75 -115.73 2.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.4 m -102.33 37.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.529 ' HB ' HG23 ' A' ' 62' ' ' VAL . 15.5 m -142.98 128.83 19.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -115.98 110.54 19.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -109.61 147.84 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.9 tp -123.62 101.36 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.95 118.05 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 75.4 t -106.82 99.52 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -71.65 142.56 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 57.48 48.88 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.0 100.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -117.03 173.0 14.49 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 74' ' ' GLY . 9.2 mm-40 -34.34 -54.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.79 -54.68 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.441 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 9.1 mm-40 -56.58 -39.42 73.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.735 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.48 131.73 51.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.41 -138.15 5.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' CG ' ' HG3' ' A' ' 93' ' ' ARG . 34.3 mt-10 -131.43 108.67 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 23.0 m-85 -89.66 157.38 18.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.0 m -140.51 113.64 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 47.2 t -89.51 97.15 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.497 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.3 tt0 -79.47 149.45 31.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.455 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -171.66 111.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.83 -82.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.95 25.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -139.55 146.86 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.497 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 17.9 mt-30 -139.47 126.62 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 ' OE1' ' A' ' 15' ' ' GLN . 15.6 mt -101.68 133.78 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.15 134.12 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CE1' ' HD2' ' A' ' 19' ' ' ARG . 59.0 m-85 -135.03 90.17 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.461 ' HG3' ' CG ' ' A' ' 80' ' ' GLU . 2.8 ttt85 -72.71 129.63 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.1 tp -113.64 127.48 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 51.7 mt-30 -113.54 132.66 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.735 HG23 ' HB2' ' A' ' 78' ' ' ALA . 84.3 t -109.3 133.25 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.22 107.33 19.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.81 -172.13 21.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -152.36 137.15 17.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 42.9 t -92.48 -55.85 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.42 -54.41 37.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.6 t -35.17 129.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -151.39 155.35 38.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.22 -90.91 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -69.72 102.43 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.852 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -58.75 142.61 49.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.84 170.85 24.38 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -151.94 165.89 33.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.74 124.32 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.2 t -101.22 -36.69 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.23 168.22 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.904 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -54.27 152.34 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -69.58 -34.13 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -90.01 23.41 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.904 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 23.2 mm-40 -72.9 138.55 79.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.559 0.695 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.85 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -154.13 112.25 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.553 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 4.6 mtp85 -86.7 167.2 14.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -131.58 102.4 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.488 HG21 ' CD2' ' A' ' 31' ' ' LEU . 85.8 t -98.72 148.47 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -133.52 140.78 47.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.96 -179.71 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.36 152.09 36.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.77 117.03 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.44 -7.93 71.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -176.98 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 t -116.84 111.89 20.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.597 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -81.61 173.22 12.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -161.05 115.5 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' CD2' HG21 ' A' ' 21' ' ' VAL . 10.5 mt -109.59 97.41 6.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.5 t -90.39 150.62 21.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -160.77 125.12 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' N ' HE22 ' A' ' 15' ' ' GLN . 20.8 mt-10 -69.66 167.0 17.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.31 132.83 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.92 -25.53 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -140.72 142.9 34.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 -54.09 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -45.7 -33.0 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -59.76 137.53 58.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -97.71 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.87 155.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 94.3 m -137.29 109.5 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' CD1' HD13 ' A' ' 68' ' ' LEU . 90.9 m95 -63.96 152.71 39.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 43' ' ' THR . 62.8 m-85 -142.19 115.94 9.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.53 ' HB2' HD11 ' A' ' 51' ' ' LEU . 42.3 tttt -98.97 112.89 24.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 t0 56.67 41.01 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.68 71.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -134.82 130.02 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -59.72 123.78 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 46' ' ' LYS . 20.1 mt -91.23 146.05 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -121.56 142.89 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 109.58 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -134.21 166.41 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 m -43.64 -25.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -85.53 -51.8 6.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.9 t -111.43 132.61 59.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -123.75 121.81 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.608 HG22 ' CD1' ' A' ' 68' ' ' LEU . 89.4 t -92.49 95.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -89.69 135.9 33.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.39 89.73 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.551 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.4 m -99.64 122.57 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.46 -107.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 82.8 m -111.65 45.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.551 ' HB ' HG23 ' A' ' 62' ' ' VAL . 4.0 m -149.81 112.97 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -104.81 101.49 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -104.81 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.662 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.2 tp -123.67 102.22 7.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.7 t -81.77 119.41 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.597 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 72.3 t -102.71 93.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -65.86 143.5 57.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 51.72 50.48 18.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.99 104.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.16 171.41 14.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.449 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -41.97 -36.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.929 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.54 77.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -19.18 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.678 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -71.11 130.17 40.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.04 -115.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -154.41 107.76 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -94.54 135.21 36.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -124.63 117.28 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.3 t -82.05 93.98 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -80.61 152.96 28.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.09 107.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.08 -91.02 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.61 5.4 3.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -126.83 166.5 17.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -168.16 128.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.08 175.38 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.49 143.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -142.8 106.17 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -83.97 111.26 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.4 tp -96.7 113.67 25.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -99.59 148.11 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.678 HG23 ' HB2' ' A' ' 78' ' ' ALA . 96.2 t -127.5 127.0 68.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.36 170.21 13.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.51 160.0 2.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.03 110.93 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 26.3 p -58.22 172.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -77.97 161.66 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -156.88 159.5 38.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -123.74 103.86 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.09 -147.44 18.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -119.72 123.86 44.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -107.55 145.01 33.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.79 150.57 28.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -124.51 123.16 39.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.3 t -89.3 110.72 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.412 HG13 HG21 ' A' ' 40' ' ' THR . 45.8 t -115.14 -31.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 65.4 m-85 -110.73 172.63 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -63.51 144.47 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.86 35.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.591 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 29.0 mm-40 -87.75 133.15 38.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' ALA . 54.3 Cg_endo -69.7 109.0 2.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -35.39 -37.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.01 118.0 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -103.04 160.28 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -120.61 127.25 51.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.8 t -119.99 137.86 52.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -118.53 148.55 42.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.12 171.03 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.87 160.24 16.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 119.26 10.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.02 -13.14 65.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.15 -177.11 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -120.67 100.49 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -67.7 167.4 13.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.622 HG21 HH21 ' A' ' 67' ' ' ARG . 49.0 m -157.38 111.89 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -103.06 97.07 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -92.34 145.53 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -154.06 130.36 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.479 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 40.2 mt-10 -70.6 162.04 29.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.5 143.99 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.98 -27.57 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -141.24 136.23 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.85 -49.1 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.6 -28.48 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.412 HG21 HG13 ' A' ' 10' ' ' VAL . 7.4 m -64.86 143.85 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -104.79 146.34 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.3 m -123.77 151.78 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.7 m -132.03 119.96 21.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.567 ' CD1' HD13 ' A' ' 68' ' ' LEU . 87.9 m95 -74.59 156.68 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.496 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 78.1 m-85 -148.7 114.89 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.639 ' HB2' HD11 ' A' ' 51' ' ' LEU . 23.6 tttm -98.6 120.82 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 50.1 44.53 25.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.89 40.05 97.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -138.3 122.83 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 60.5 tttm -51.28 118.86 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 46' ' ' LYS . 28.7 mt -87.94 136.11 33.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' SER . 30.8 t -120.84 109.05 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.4 p -38.87 97.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 52' ' ' SER . 1.3 p -105.11 171.46 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.0 m -46.16 -22.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.27 -47.0 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -108.95 132.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -124.18 129.24 50.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.531 HG22 ' CD1' ' A' ' 68' ' ' LEU . 60.1 t -95.12 102.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.4 mp0 -90.5 156.41 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.6 107.4 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.797 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.6 m -120.55 -176.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.21 104.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' GLY . 94.8 m 34.35 48.12 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.797 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.5 m -151.43 125.53 9.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 84.7 mmt-85 -119.1 114.94 23.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.622 HH21 HG21 ' A' ' 30' ' ' THR . 9.2 ptm180 -118.51 142.29 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.7 tp -116.04 101.8 9.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.4 t -82.14 123.6 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 40.9 t -113.4 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -66.65 148.92 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 47.04 51.59 12.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.05 103.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.28 170.14 13.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 41.1 mm-40 -37.37 -49.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.48 46.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.78 -27.77 69.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.538 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -63.9 122.49 16.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.38 -151.1 10.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -115.54 106.46 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -93.52 133.45 36.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.7 m -117.86 124.03 47.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.6 t -93.25 97.01 10.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -83.75 157.04 22.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.558 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -174.66 111.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.3 -89.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.39 10.13 3.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -132.53 165.74 23.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.502 ' CD ' ' C ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -160.1 156.27 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt -117.26 174.58 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.32 138.03 52.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -141.83 106.45 4.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -83.91 127.62 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 tp -111.82 106.66 15.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -98.78 135.93 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 78' ' ' ALA . 98.9 t -116.56 127.1 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.42 120.76 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.33 -161.67 50.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -115.71 -47.63 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 45.2 t -153.09 133.11 13.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 5.0 p90 -38.8 144.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -44.19 -48.31 9.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 m 62.49 41.68 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 129.57 33.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -49.8 -59.27 3.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 m -154.19 135.95 14.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.42 72.47 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.19 124.76 18.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.7 t -109.59 126.24 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -100.02 -41.26 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 85' ' ' ALA . 74.2 m-85 -105.15 -178.66 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -62.46 175.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.95 -20.26 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -99.27 31.76 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.545 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.3 pt20 -127.54 143.22 46.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 146.59 61.15 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.26 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.46 128.41 37.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -113.24 143.49 44.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -93.14 142.23 27.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 31' ' ' LEU . 91.8 t -135.28 148.28 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -134.79 153.48 52.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.18 170.73 21.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB1' ' HB2' ' A' ' 100' ' ' CYS . . . -60.7 126.29 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.64 -19.34 41.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.93 171.71 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -109.12 106.69 16.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.53 168.03 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.072 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.3 m -154.3 118.58 4.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 21' ' ' VAL . 19.5 mt -108.83 96.85 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -91.62 146.27 23.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 27.3 p -154.89 134.92 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -80.98 160.82 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.81 160.26 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.44 -27.46 34.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -134.59 156.19 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.84 -63.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -45.11 -25.05 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.7 m -62.99 117.28 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -80.02 153.51 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.35 163.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 34.6 m -147.99 106.11 3.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.565 ' CD1' HD13 ' A' ' 68' ' ' LEU . 88.2 m95 -60.3 153.93 21.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 43' ' ' THR . 76.0 m-85 -147.79 117.42 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.498 ' HB2' HD21 ' A' ' 51' ' ' LEU . 39.6 tttp -98.65 133.59 42.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 41.1 40.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.32 39.69 87.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -138.3 142.77 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -68.09 118.97 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 46' ' ' LYS . 10.5 mt -83.75 159.23 21.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.2 t -121.07 152.79 38.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.9 p -98.21 83.63 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 55' ' ' SER . 2.1 t -112.71 168.43 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.1 m -34.68 -40.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.39 -64.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.21 134.02 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.65 124.23 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -89.85 98.95 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 27.3 mm-40 -95.1 143.06 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.72 92.21 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.624 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.0 m -97.58 109.19 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.6 -114.31 2.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.0 m -102.6 39.38 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.624 ' HB ' HG23 ' A' ' 62' ' ' VAL . 17.6 m -145.84 129.12 16.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 mmt-85 -115.36 112.92 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 28.5 ptt180 -110.86 145.66 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -122.6 103.06 8.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.7 119.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 77' ' ' GLU . 95.6 t -109.0 100.35 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.43 147.77 45.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 49.63 46.09 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 112.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -125.77 -179.25 15.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' GLY . 15.4 mp0 -35.08 -65.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.78 -49.28 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.452 ' HG3' ' CG1' ' A' ' 70' ' ' VAL . 26.5 mm-40 -60.02 -34.96 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -66.22 124.72 23.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.28 -127.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -138.77 127.13 22.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 14.7 m-85 -108.9 137.29 47.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 45' ' ' TYR . 16.1 m -124.41 117.89 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.04 97.04 10.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.6 tt0 -85.43 127.43 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . . . -133.44 10.4 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.46 78.78 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.96 -40.37 2.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.416 ' C ' ' HG3' ' A' ' 89' ' ' GLN . 27.5 mt-30 -94.42 140.94 29.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.494 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 24.2 mt-30 -146.56 123.85 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.545 HD11 ' OE1' ' A' ' 15' ' ' GLN . 22.4 mt -93.41 125.87 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.72 135.35 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 57.1 m-85 -134.97 95.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.446 ' NE ' ' HG3' ' A' ' 95' ' ' GLN . 1.7 tmm_? -72.4 122.49 21.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.9 tp -110.24 117.74 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.446 ' HG3' ' NE ' ' A' ' 93' ' ' ARG . 49.8 mt-30 -107.06 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.1 t -109.54 138.21 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.35 109.66 17.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.52 172.24 15.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -102.15 121.18 41.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.47 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 43.1 t -134.26 135.67 43.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -120.83 -55.77 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -103.32 138.5 40.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m -46.54 107.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.67 56.01 3.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -82.36 40.96 0.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -145.24 135.47 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.32 98.53 0.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -92.9 174.48 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t -126.15 129.62 72.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.79 HG11 ' HB3' ' A' ' 85' ' ' ALA . 21.3 t -106.45 -33.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.72 165.03 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -50.28 169.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -25.45 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -95.17 32.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.58 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 30.7 mm-40 -88.67 137.46 30.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.68 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.36 -30.29 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 29.4 t-80 -147.37 105.21 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -101.36 93.86 5.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.578 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 13.7 mt-10 -75.98 111.35 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.5 t -106.06 133.77 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -106.34 152.66 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.21 176.68 12.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -113.44 151.72 31.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.32 116.04 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.03 -17.92 56.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.44 177.05 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 m -117.03 98.61 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.55 176.64 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -162.06 112.85 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.9 mt -104.71 96.89 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -92.38 158.05 16.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 p -171.71 131.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.485 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 53.7 mt-10 -71.11 165.62 23.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 4.4 m -140.18 145.27 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.5 -19.28 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -153.73 141.88 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -71.94 -68.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' ALA . 8.4 tt0 -34.43 -43.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -41.91 133.46 2.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 147.11 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.666 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.4 m -124.99 167.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m -154.48 109.32 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CD1' HD13 ' A' ' 68' ' ' LEU . 77.3 m95 -68.82 148.87 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 65.5 m-85 -137.65 124.87 21.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -104.03 124.05 48.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 43.66 41.36 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.78 38.5 56.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -136.41 132.58 35.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 54.9 tttt -61.61 115.91 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -81.49 147.25 29.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -126.21 147.72 49.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -78.78 74.41 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' SER . 3.4 p -87.93 167.94 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 6.0 t -37.51 -34.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -81.94 -61.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.52 129.63 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -128.4 114.69 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 68' ' ' LEU . 58.5 t -87.49 108.47 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -100.54 138.25 37.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.15 97.1 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.848 HG23 ' HB ' ' A' ' 65' ' ' THR . 16.4 m -109.17 -175.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.51 102.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 89.5 m 33.77 46.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.848 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.0 m -147.07 118.82 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.666 ' HG3' HG11 ' A' ' 42' ' ' VAL . 75.1 mmt-85 -109.41 104.24 13.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 -109.23 135.23 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.792 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.1 tp -112.2 104.35 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.6 t -86.62 109.31 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.05 93.06 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.97 133.21 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.83 54.22 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.49 106.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.24 167.83 12.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' GLY . 68.4 mm-40 -34.88 -46.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.03 77.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.8 mm-40 -61.4 -39.74 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.561 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.08 128.7 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.71 -120.09 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -141.72 114.25 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -101.25 135.55 42.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -124.23 114.83 20.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.8 t -88.89 98.54 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -91.5 128.37 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.79 ' HB3' HG11 ' A' ' 10' ' ' VAL . . . -122.67 10.41 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.531 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 122.51 92.73 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.19 -41.11 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -108.19 149.49 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -161.89 126.35 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.7 mt -83.57 163.86 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.9 146.12 37.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -143.13 110.39 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -86.7 106.77 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.1 tp -95.42 126.28 40.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -120.07 134.43 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 78' ' ' ALA . 79.6 t -107.64 133.29 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.09 118.33 30.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.43 179.29 49.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -91.43 144.74 25.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.6 t -92.27 125.25 36.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -62.98 159.51 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m 50.81 42.15 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -87.83 133.29 33.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.51 -116.51 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -131.53 140.5 49.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -113.97 101.24 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.43 92.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.17 174.42 5.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t -128.21 126.79 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.614 HG21 ' O ' ' A' ' 85' ' ' ALA . 60.2 t -104.37 -39.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 61.9 m-85 -104.8 170.52 7.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -57.27 171.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -33.02 16.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -92.19 29.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.832 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 27.2 mm-40 -77.06 131.86 71.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.496 ' HG3' ' NE ' ' A' ' 19' ' ' ARG . 53.9 Cg_endo -69.79 112.47 3.09 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.18 -29.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 20' ' ' GLU . 4.4 t-80 -147.08 139.83 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 16.9 mtt-85 -126.7 90.25 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' A' ' 18' ' ' HIS . 2.0 mp0 -66.08 107.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.1 t -106.2 143.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -116.16 159.12 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.12 170.59 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -114.57 152.14 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -56.66 116.7 3.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.07 -6.64 66.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.02 173.83 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.9 p -112.11 99.37 8.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.43 172.4 6.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.9 m -160.97 109.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 mt -102.71 97.13 7.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 t -92.9 151.85 19.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.3 p -158.86 132.68 7.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 32.3 mt-10 -70.1 159.88 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.1 131.43 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.83 -23.42 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -149.9 136.38 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -72.88 -63.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 29.8 pt20 -35.59 -36.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.483 HG21 HG13 ' A' ' 10' ' ' VAL . 98.8 m -53.27 150.17 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -109.16 153.44 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 m -132.88 162.02 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.2 m -143.98 108.44 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.621 ' CD1' HD13 ' A' ' 68' ' ' LEU . 90.2 m95 -65.12 150.33 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 60.4 m-85 -140.07 116.98 11.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.678 ' HB2' HD21 ' A' ' 51' ' ' LEU . 41.0 tttm -92.83 127.09 38.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.28 42.88 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.26 36.58 70.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -138.33 131.01 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 57.4 tttt -58.48 120.02 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.678 HD21 ' HB2' ' A' ' 46' ' ' LYS . 11.1 mt -82.91 175.35 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -151.72 126.55 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 94.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' SER . 24.2 p -110.7 167.45 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.9 m -36.02 -35.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 77' ' ' GLU . 26.0 ttmt -80.92 -65.63 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.29 131.63 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -126.28 121.96 34.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG22 ' CD1' ' A' ' 68' ' ' LEU . 61.7 t -92.02 103.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 7.6 mt-10 -98.07 138.78 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.87 90.5 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.74 HG23 ' HB ' ' A' ' 65' ' ' THR . 1.6 m -96.99 -179.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -36.04 107.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLY . 42.7 m 34.09 47.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.74 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.2 m -153.52 121.07 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 38' ' ' ALA . 72.9 mmt-85 -110.79 108.96 18.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 9.9 ptm180 -111.28 144.37 40.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.621 HD13 ' CD1' ' A' ' 44' ' ' TRP . 4.9 tp -118.47 98.31 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.6 t -80.91 115.97 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -105.59 102.07 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -71.1 146.55 49.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 48.62 50.86 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 102.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.73 171.62 13.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 10.2 mm-40 -35.14 -53.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.87 -57.89 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' CG ' ' HD3' ' A' ' 56' ' ' LYS . 3.8 mm-40 -55.49 -38.95 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -53.16 132.44 38.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.71 -141.37 6.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.39 105.0 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -84.09 161.25 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' TYR . 20.3 m -143.55 110.49 5.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 53.0 t -86.96 94.79 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -81.85 155.31 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.614 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -174.62 110.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.88 -95.27 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.59 27.35 3.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -147.64 166.66 26.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -166.44 125.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 mt -95.43 154.0 17.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.525 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 29.2 t -97.1 155.65 16.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 47.0 m-85 -154.73 105.33 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -85.92 132.87 33.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.9 tp -116.02 114.69 24.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -99.94 144.84 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 78' ' ' ALA . 61.5 t -128.51 134.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . -105.68 168.46 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.99 -142.8 31.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -158.36 139.94 13.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 101' ' ' PHE . 58.1 m -48.94 -54.27 16.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 102' ' ' GLY . 56.7 t80 -38.2 120.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -75.06 151.1 38.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 t -79.98 -47.51 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.65 87.87 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -60.0 -47.59 85.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.816 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -83.29 81.0 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.11 141.07 8.21 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -174.72 108.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 69.6 t -98.45 138.32 23.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 86' ' ' GLY . 15.4 t -107.99 -30.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 85.6 m-85 -114.91 162.39 16.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' CG ' ' A' ' 15' ' ' GLN . . . -48.44 166.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.126 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -21.44 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.6 46.16 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.642 ' OE1' HD11 ' A' ' 90' ' ' LEU . 15.2 mt-30 -115.52 142.26 28.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 146.65 60.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.1 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -149.41 117.85 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -97.26 149.84 21.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -112.5 103.2 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.53 HG21 ' CD2' ' A' ' 31' ' ' LEU . 97.0 t -93.29 137.58 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -122.47 141.08 52.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.85 -175.84 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -120.57 157.37 29.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 117.21 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.82 -30.0 11.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.5 -176.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -129.04 102.47 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.55 168.56 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -154.07 108.23 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.53 ' CD2' HG21 ' A' ' 21' ' ' VAL . 6.0 mt -95.9 98.18 10.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -89.02 159.54 17.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -173.12 134.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.12 171.7 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.49 141.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.72 -15.34 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -158.52 138.59 12.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 66' ' ' ARG . . . -75.87 -53.7 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -42.2 -30.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -63.67 131.83 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.16 149.05 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG11 ' HG3' ' A' ' 66' ' ' ARG . 2.2 m -123.11 174.49 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.9 m -161.24 105.7 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.716 ' CD1' HD13 ' A' ' 68' ' ' LEU . 79.3 m95 -64.24 149.67 47.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 55.9 m-85 -138.62 121.16 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HB2' HD21 ' A' ' 51' ' ' LEU . 31.6 tttm -105.3 120.93 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 47.63 44.99 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.08 40.84 97.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -139.76 121.3 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 30.0 ttmt -54.23 105.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 46' ' ' LYS . 27.2 mt -66.31 142.43 57.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -113.47 129.0 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 p -67.47 96.36 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -126.53 170.61 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -37.84 -36.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -70.03 -62.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.409 ' CG1' HD11 ' A' ' 68' ' ' LEU . 54.0 t -106.07 131.23 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttm-85 -118.62 115.84 25.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.5 t -83.64 93.24 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 18.2 mm-40 -85.89 136.27 33.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.91 100.23 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.828 HG23 ' HB ' ' A' ' 65' ' ' THR . 6.1 m -113.07 -179.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -35.81 108.93 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 63' ' ' GLY . 15.8 p 33.61 47.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.391 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.828 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.1 m -153.49 121.64 6.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.56 ' HG3' HG11 ' A' ' 42' ' ' VAL . 78.5 mmt-85 -117.36 108.16 15.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 12.9 ptm180 -111.15 143.12 42.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.716 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.8 tp -118.88 103.84 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.1 t -83.15 117.37 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.3 t -102.7 92.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -65.97 140.9 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 57.27 49.42 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.96 100.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.49 173.43 14.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -38.11 -54.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.18 -42.94 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.37 -33.91 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.71 121.07 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.23 -137.52 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.433 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -128.87 105.11 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -91.88 126.14 36.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.425 ' HB3' ' CD ' ' A' ' 89' ' ' GLN . 25.5 m -116.34 125.67 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.1 t -96.08 102.09 13.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -93.87 134.91 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' HG11 ' A' ' 10' ' ' VAL . . . -131.84 -0.67 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.545 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 139.67 83.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.58 -38.24 2.29 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -103.73 154.7 19.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -171.43 137.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.642 HD11 ' OE1' ' A' ' 15' ' ' GLN . 12.7 mt -94.97 168.85 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.03 136.38 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -133.61 88.11 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' VAL . 11.2 tpp85 -65.76 115.4 5.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.2 tp -101.09 115.18 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -105.25 146.58 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.8 t -124.57 131.29 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.68 116.39 30.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.23 -179.76 50.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -107.25 143.83 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.5 m -50.93 171.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -49.78 165.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.509 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -65.38 -61.06 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -115.54 5.85 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.45 -65.4 3.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -109.02 125.34 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -161.57 150.49 15.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.16 53.81 3.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -43.99 141.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 56.1 t -124.43 126.4 71.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.7 HG21 ' O ' ' A' ' 85' ' ' ALA . 97.8 t -97.31 -40.49 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 47.2 m-85 -104.99 163.17 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.21 175.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 -17.91 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -99.01 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.546 ' OE1' HD11 ' A' ' 90' ' ' LEU . 13.6 mt-30 -121.47 134.85 24.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.554 0.692 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' HIS . 53.8 Cg_endo -69.77 128.43 16.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.396 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.06 -25.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -160.01 121.77 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -103.37 144.44 31.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.58 134.75 45.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.7 t -131.97 133.57 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -117.67 148.86 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.09 174.8 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -106.41 156.6 18.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 120.03 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.64 -13.83 66.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.8 179.46 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t -117.51 109.4 16.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.9 176.85 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -164.79 105.47 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.85 97.4 9.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -92.25 153.77 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.9 p -163.89 131.09 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 23.5 mt-10 -71.62 158.72 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.58 131.83 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.85 -22.74 10.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -145.59 141.86 28.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -39.27 -35.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -54.85 138.44 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -103.14 149.57 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.7 m -125.06 164.25 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -148.55 107.52 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.785 ' CD1' HD13 ' A' ' 68' ' ' LEU . 82.8 m95 -65.32 154.18 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 70.8 m-85 -144.02 116.8 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -99.94 118.72 36.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 52.01 38.7 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.59 37.39 68.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -140.62 112.24 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 10.7 ttpt -44.23 127.65 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 44' ' ' TRP . 34.1 mt -86.87 145.08 26.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.5 t -117.57 126.05 51.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 t -65.35 89.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.9 m -113.54 172.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 t -40.23 -29.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -81.66 -62.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' SER . 31.2 t -103.1 135.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -130.04 124.87 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.692 HG22 HD12 ' A' ' 68' ' ' LEU . 61.0 t -91.91 95.07 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -89.34 134.69 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.37 95.81 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.634 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.6 m -98.15 103.43 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.58 -110.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.1 m -107.41 39.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.634 ' HB ' HG23 ' A' ' 62' ' ' VAL . 8.7 m -143.78 116.87 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -103.73 116.69 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -119.42 144.7 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.785 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.6 tp -118.9 99.12 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.3 t -80.19 116.26 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -105.1 97.19 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -70.5 142.47 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 57.71 49.24 12.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.16 100.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -116.89 172.52 14.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' GLY . 74.5 mm-40 -34.75 -55.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.69 -53.04 34.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -58.11 -38.69 76.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.13 120.86 9.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.34 -129.57 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -135.84 109.81 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 51' ' ' LEU . 11.6 m-85 -95.53 126.14 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -114.94 110.51 19.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.54 94.65 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.493 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 2.8 tt0 -82.14 142.5 32.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.7 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -169.51 110.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.02 -80.52 0.95 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.81 16.67 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -130.85 156.04 45.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.493 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 35.6 mt-30 -145.61 131.69 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.546 HD11 ' OE1' ' A' ' 15' ' ' GLN . 77.0 mt -106.69 123.55 48.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.24 133.84 38.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -132.1 96.36 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -72.14 118.9 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.1 tp -110.16 108.49 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -100.25 146.72 26.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 78' ' ' ALA . 62.3 t -117.46 140.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -106.44 138.76 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.3 -156.03 38.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -137.62 150.57 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.78 99.92 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -79.42 172.82 13.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 67.24 47.54 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -66.1 96.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.2 -120.61 2.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t 61.61 40.98 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -82.4 -50.18 9.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.39 136.14 6.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.5 122.61 32.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t -84.53 130.08 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 85' ' ' ALA . 18.2 t -105.96 -33.48 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 96.4 m-85 -111.8 166.46 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB3' ' NE2' ' A' ' 15' ' ' GLN . . . -54.54 -179.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -102.31 -34.55 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -87.75 49.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.591 ' NE2' ' HB3' ' A' ' 12' ' ' ALA . 12.1 mt-30 -119.26 139.63 27.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.08 9.75 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.55 -26.31 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.37 124.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.552 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 4.7 ptm180 -115.83 163.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -126.08 103.18 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.85 151.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -114.9 161.46 18.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.26 162.11 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -104.61 153.84 20.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.72 114.84 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.57 -15.44 61.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.6 -175.17 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -123.03 105.93 10.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 173.95 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -159.27 106.68 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 mt -103.97 102.54 12.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -103.62 160.65 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.0 p -168.28 136.53 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.64 162.62 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.9 145.71 27.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.11 -19.09 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -147.36 139.68 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -77.17 -62.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ALA . 23.2 pt20 -36.91 -39.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.446 HG21 HG13 ' A' ' 10' ' ' VAL . 89.5 m -48.5 147.02 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -107.9 158.4 17.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 85' ' ' ALA . 2.7 m -138.25 163.04 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.3 m -147.61 113.94 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CD1' HD13 ' A' ' 68' ' ' LEU . 89.5 m95 -69.53 149.99 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 97.4 m-85 -143.46 120.39 11.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HB2' HD21 ' A' ' 51' ' ' LEU . 28.9 tttm -98.34 104.77 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t0 66.36 30.44 8.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.11 71.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 10.1 mptt -107.66 131.85 53.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 61.4 tttm -66.86 109.39 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 46' ' ' LYS . 12.3 mt -73.39 151.06 41.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 t -125.11 119.75 29.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.9 p -55.09 100.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.3 t -132.21 168.42 18.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' SER . 54.2 m -34.5 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -61.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.1 t -108.3 132.73 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -116.73 119.56 35.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 68' ' ' LEU . 98.9 t -91.18 101.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -102.7 140.86 36.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.31 88.45 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.568 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.2 m -94.14 109.36 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.97 -108.22 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.4 p -111.35 35.33 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.568 ' HB ' HG23 ' A' ' 62' ' ' VAL . 5.3 m -139.13 109.7 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -99.61 103.85 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -105.38 144.18 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 44' ' ' TRP . 6.0 tp -124.77 106.49 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.4 t -86.14 123.1 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.7 t -109.13 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -68.54 147.12 52.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 50.21 54.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.96 101.24 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.479 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -124.58 179.26 16.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 38.9 mm-40 -35.53 -53.81 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.23 60.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -63.12 -34.71 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.648 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -61.69 120.89 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -178.43 -134.4 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -134.78 98.98 4.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -84.31 133.54 34.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.3 m -124.42 111.27 15.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 44' ' ' TRP . 42.7 t -84.28 92.37 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -75.27 151.44 38.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -171.08 106.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.01 -87.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.481 ' H ' HG21 ' A' ' 10' ' ' VAL . . . -139.05 4.32 2.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -124.86 168.03 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.445 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -171.0 131.61 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.521 HD11 ' OE1' ' A' ' 15' ' ' GLN . 25.4 mt -94.51 155.63 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.28 147.02 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE2' ' HD3' ' A' ' 19' ' ' ARG . 48.5 m-85 -141.53 105.26 4.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -88.52 94.06 9.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 59.2 tp -81.81 126.55 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -113.17 132.92 55.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 78' ' ' ALA . 92.2 t -104.18 124.69 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.58 91.54 8.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.16 -138.8 10.46 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -174.99 145.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 9.2 m -133.88 103.1 5.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -57.97 132.22 52.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -120.83 -47.71 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -82.45 121.83 27.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.24 87.04 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -43.36 112.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -47.31 156.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.71 -170.77 20.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -132.83 106.09 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t -88.23 138.13 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 99.2 t -117.57 -32.42 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' CD1' HG12 ' A' ' 35' ' ' VAL . 41.8 m-85 -103.07 178.14 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -62.94 174.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 -18.95 12.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -105.72 36.67 2.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.512 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 2.4 pt20 -126.47 146.49 56.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.18 59.22 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.36 87.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 1.2 t60 -144.36 123.22 12.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.493 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 5.7 mtp-105 -106.97 174.39 5.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -124.65 101.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.13 138.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.75 173.48 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.98 -179.44 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -107.89 167.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -75.47 117.66 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.16 -17.46 57.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.53 171.05 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -108.63 102.92 11.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . . . -74.22 177.81 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.6 m -161.68 109.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.04 96.19 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.5 t -91.86 148.72 22.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 26.9 p -156.35 134.48 11.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.89 162.08 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 11' ' ' PHE . 5.6 m -136.85 163.79 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . -82.02 -23.55 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -150.25 131.8 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' GLN . . . -64.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.0 pt20 -35.96 -39.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -53.24 147.72 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.6 156.11 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.696 HG12 ' HB2' ' A' ' 85' ' ' ALA . 8.3 m -133.51 156.11 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 109.36 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.586 ' HB3' HD12 ' A' ' 51' ' ' LEU . 84.5 m95 -64.08 155.87 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 79.2 m-85 -149.66 112.94 4.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.79 121.88 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 47.66 41.96 14.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.62 37.37 84.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -138.05 117.93 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 34.9 ttmt -44.12 127.57 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.586 HD12 ' HB3' ' A' ' 44' ' ' TRP . 15.4 mt -94.81 137.1 34.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 t -119.14 118.92 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.879 ' HB3' HG12 ' A' ' 59' ' ' VAL . 82.9 p -58.8 85.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' SER . 5.5 m -100.82 172.21 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 30.3 t -37.16 -39.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 7.5 mtpm? -68.65 -64.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.99 133.18 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -128.65 109.91 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.879 HG12 ' HB3' ' A' ' 53' ' ' SER . 7.1 p -85.47 121.41 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -107.57 157.56 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.23 115.54 15.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.741 HG23 ' HB ' ' A' ' 65' ' ' THR . 16.3 m -128.26 -174.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' VAL . . . -32.26 98.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' GLY . 74.0 m 34.09 50.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.741 ' HB ' HG23 ' A' ' 62' ' ' VAL . 23.9 m -151.71 116.09 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.2 mmt-85 -105.74 109.99 22.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -108.33 150.89 26.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.738 HD12 ' HB ' ' A' ' 59' ' ' VAL . 3.8 tp -125.24 96.42 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.2 103.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 84.4 t -95.01 101.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 21.7 mm-40 -74.71 150.66 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 49.16 43.86 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.71 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -123.23 176.82 16.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 74' ' ' GLY . 14.4 mp0 -33.78 -61.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.31 -39.03 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -59.39 120.18 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 178.92 -144.09 6.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -119.82 99.58 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.41 ' CD2' HD11 ' A' ' 51' ' ' LEU . 57.4 m-85 -83.72 128.31 34.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.8 m -120.6 112.8 19.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.35 93.14 9.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.82 150.98 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.696 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -168.08 105.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.75 -89.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.04 25.99 3.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -142.97 173.3 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -169.76 138.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD21 ' OE1' ' A' ' 15' ' ' GLN . 9.3 mt -107.52 135.75 48.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.39 134.92 33.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 52.1 m-85 -134.64 91.01 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -72.78 103.55 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.54 121.09 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -103.37 154.1 19.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.655 HG23 ' HB2' ' A' ' 78' ' ' ALA . 95.7 t -130.22 142.94 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . -113.11 152.53 29.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.51 -171.04 26.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -108.43 133.32 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 51.6 t -78.9 106.03 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.66 105.96 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -105.78 150.28 25.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -61.54 95.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.56 -121.4 0.8 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -154.27 145.23 22.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 t -164.73 106.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.92 45.84 0.68 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -92.52 135.19 34.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 11' ' ' PHE . 89.7 t -130.6 123.54 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 40' ' ' THR . 56.4 t -91.72 -39.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 92.9 m-85 -112.88 154.65 26.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -45.89 172.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -23.82 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -94.93 35.7 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 34' ' ' GLU . 33.8 mm-40 -90.89 130.87 39.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 115.34 4.05 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -38.81 -33.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' C ' ' ND1' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -162.97 118.32 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -103.88 149.13 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.33 123.94 49.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.02 131.42 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -116.53 143.86 45.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.16 179.51 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -112.08 156.86 21.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 98' ' ' GLY . . . -63.7 121.28 13.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.03 -12.18 70.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 174.69 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.1 p -114.1 103.76 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.96 173.55 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.0 m -158.25 110.64 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -100.58 97.05 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -94.09 152.95 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -160.71 138.55 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . 38.5 mt-10 -77.31 162.43 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 64' ' ' CYS . 6.2 m -139.54 153.43 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.11 -24.23 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -144.06 146.41 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.07 -57.11 3.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -44.16 -25.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.468 HG21 HG13 ' A' ' 10' ' ' VAL . 52.5 m -67.22 140.86 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -108.22 155.45 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.576 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.1 m -131.27 161.31 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.4 m -139.69 107.87 5.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.764 ' CD1' HD13 ' A' ' 68' ' ' LEU . 80.1 m95 -64.69 146.49 54.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 61.6 m-85 -136.64 115.53 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HB2' HD21 ' A' ' 51' ' ' LEU . 7.7 tttm -97.6 131.6 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.3 t70 39.57 39.76 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.01 39.07 74.36 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LYS . 40.3 mttm -137.59 123.76 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 88.5 tttt -52.61 121.66 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 44' ' ' TRP . 17.7 mt -86.96 145.55 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.1 t -130.95 114.44 15.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.64 ' HB3' HG12 ' A' ' 59' ' ' VAL . 10.9 p -52.68 108.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' VAL . 2.7 m -126.95 178.98 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -47.79 -21.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -89.82 -50.14 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' SER . 87.3 t -114.3 135.43 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -130.55 112.58 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.799 ' HB ' HD12 ' A' ' 68' ' ' LEU . 7.5 p -95.65 109.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.33 152.1 18.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.27 89.72 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.566 HG23 ' HB ' ' A' ' 65' ' ' THR . 4.4 m -98.4 110.09 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.03 -112.97 1.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 45.6 m -106.79 42.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.566 ' HB ' HG23 ' A' ' 62' ' ' VAL . 14.2 m -145.12 121.71 11.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -111.44 112.79 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -112.73 143.02 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.799 HD12 ' HB ' ' A' ' 59' ' ' VAL . 4.6 tp -119.67 98.15 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.4 111.81 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.504 HG12 ' OE1' ' A' ' 77' ' ' GLU . 80.0 t -103.42 104.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.31 147.78 47.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 50.26 52.09 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.02 98.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -115.65 173.9 14.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.538 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.514 ' NE2' ' H ' ' A' ' 75' ' ' GLN . 2.2 mp0 -34.29 -65.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.48 -46.21 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.504 ' OE1' HG12 ' A' ' 70' ' ' VAL . 6.4 mt-10 -68.69 -30.36 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.866 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -69.51 123.96 22.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.87 -127.66 1.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.4 107.03 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -91.3 134.51 34.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.0 m -121.25 113.25 19.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.4 t -85.94 91.11 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.76 152.69 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.576 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -173.96 111.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.49 -88.58 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.98 5.8 2.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.439 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -128.06 166.36 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.496 ' CD ' ' C ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -163.52 155.07 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -122.71 147.69 46.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.48 136.63 33.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -134.18 90.37 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.06 120.03 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.9 tp -109.41 114.52 28.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.53 153.53 20.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 78' ' ' ALA . 76.1 t -127.01 126.66 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.79 122.13 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.703 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . 78.15 161.23 16.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -112.25 109.63 19.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 6.0 t -152.25 156.61 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -82.29 -43.43 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -97.67 93.32 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -134.55 144.23 47.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.04 -124.39 3.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -53.95 -50.67 65.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.5 p -41.99 121.76 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.11 41.17 0.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -84.8 105.87 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -93.33 132.77 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.5 t -106.22 -38.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' CD1' HG12 ' A' ' 35' ' ' VAL . 50.9 m-85 -97.65 -176.23 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -177.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -16.71 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -106.45 36.43 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.617 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.4 pt20 -128.0 142.37 44.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 132.44 23.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.72 -46.33 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 91' ' ' SER . 0.6 OUTLIER -135.26 125.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.69 155.69 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -105.3 136.73 44.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.8 t -130.68 130.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -114.22 151.9 32.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.63 171.45 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -109.15 152.24 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 122.03 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.83 -18.91 56.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.44 169.79 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -108.21 100.94 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.15 166.36 21.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.2 m -151.83 109.0 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.6 96.73 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 t -89.48 149.57 22.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 92' ' ' PHE . 26.3 p -157.24 133.88 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.75 162.03 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 11' ' ' PHE . 15.6 m -138.71 157.26 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.85 -22.44 49.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.87 148.34 41.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.33 -63.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 40' ' ' THR . 10.5 pt20 -40.87 -39.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.481 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 53.2 m -48.88 131.95 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -97.44 144.94 26.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.9 m -117.7 172.01 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.8 m -155.28 110.95 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.577 ' CD1' HD13 ' A' ' 68' ' ' LEU . 79.4 m95 -67.94 148.62 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 62.2 m-85 -139.07 118.38 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB2' HD21 ' A' ' 51' ' ' LEU . 39.5 tttt -100.13 135.2 41.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 39.55 31.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 35.24 33.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' LYS . 37.0 pttt -130.81 140.23 50.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 32.0 tttp -67.73 108.98 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 46' ' ' LYS . 17.3 mt -77.44 168.66 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -157.83 131.61 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -55.75 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.6 p -98.97 177.3 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.1 t -47.11 -22.55 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.19 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.55 137.82 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ttm-85 -126.65 113.64 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG22 ' CD1' ' A' ' 68' ' ' LEU . 89.0 t -88.78 100.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -92.05 137.06 32.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.74 98.39 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.29 112.01 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.5 -115.79 4.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.3 42.88 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -144.56 131.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -125.2 105.42 9.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -109.08 142.44 39.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 44' ' ' TRP . 4.7 tp -116.0 105.39 12.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.9 t -87.1 108.6 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.8 t -98.19 101.47 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -69.9 145.71 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 53.58 47.65 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.04 104.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.588 ' HA2' HG11 ' A' ' 96' ' ' VAL . . . -122.67 178.49 16.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.48 -51.44 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.28 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -39.86 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.703 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -54.21 121.14 7.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.56 -142.28 4.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -122.45 109.91 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -99.06 126.9 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -116.73 124.04 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.6 t -95.97 97.75 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 3.1 tt0 -84.19 132.38 34.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.7 2.78 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.43 -98.09 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -103.56 17.16 51.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.482 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -149.21 154.64 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.499 ' CG ' ' HG3' ' A' ' 84' ' ' GLU . 29.5 mt-30 -146.94 123.0 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD11 ' OE1' ' A' ' 15' ' ' GLN . 39.6 mt -88.78 133.13 34.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 18' ' ' HIS . 0.7 OUTLIER -91.02 134.62 34.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 33' ' ' CYS . 58.8 m-85 -134.55 89.6 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -70.49 115.85 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.3 tp -103.01 118.11 36.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -107.46 137.38 45.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' A' ' 78' ' ' ALA . 92.9 t -111.17 139.17 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -112.77 168.05 9.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.52 -156.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -155.9 152.18 27.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.763 0.316 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.61 138.87 56.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -139.51 139.44 36.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -170.62 140.33 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -131.09 120.48 23.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.59 -119.76 2.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -69.47 84.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -99.46 166.22 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.1 -160.32 8.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -138.3 143.92 40.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -112.57 131.47 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 93.9 t -107.06 -32.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CD1' HG12 ' A' ' 35' ' ' VAL . 61.0 m-85 -114.08 -177.22 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.83 -175.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -116.43 -32.21 5.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -90.01 36.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.462 ' OE1' HD11 ' A' ' 90' ' ' LEU . 3.5 pt20 -129.67 142.41 45.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.65 67.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.44 96.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.48 127.65 24.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -118.38 147.31 43.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.76 138.25 33.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.1 t -130.14 134.72 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -117.54 153.2 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.44 171.42 20.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -107.73 154.96 20.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.53 122.4 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.63 -10.94 73.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.17 172.39 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.2 p -109.44 98.47 7.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.14 165.87 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.5 m -152.45 106.41 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.63 96.54 8.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -90.48 149.86 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 p -160.13 129.17 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -77.34 164.18 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.573 HG12 ' CD1' ' A' ' 11' ' ' PHE . 2.5 m -137.52 174.76 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -25.62 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -149.56 123.07 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.88 -26.56 10.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -67.21 146.71 53.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 2.6 mp0 -102.08 162.59 12.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 85' ' ' ALA . 3.4 m -138.9 172.33 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.6 m -158.68 106.99 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.714 ' CD1' HD13 ' A' ' 68' ' ' LEU . 86.1 m95 -64.52 155.95 31.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -146.75 117.92 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -101.32 118.53 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 t70 48.74 43.41 20.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.36 37.84 86.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -135.28 124.55 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -56.54 112.33 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' A' ' 44' ' ' TRP . 24.2 mt -76.2 145.02 40.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.5 t -118.51 146.96 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.807 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.7 t -84.09 87.32 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -111.29 170.82 7.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 t -39.42 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.9 tppt? -80.89 -62.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 70' ' ' VAL . 60.5 t -104.1 137.35 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.6 ttm-85 -133.03 128.0 35.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.4 t -90.91 99.51 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 67' ' ' ARG . 55.6 mp0 -92.95 140.17 29.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.24 93.0 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.473 HG23 ' HB ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -102.89 -175.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -34.3 100.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' GLY . 71.8 m 34.33 52.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.473 ' HB ' HG23 ' A' ' 62' ' ' VAL . 3.2 m -157.2 111.75 2.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 42' ' ' VAL . 71.4 mmt-85 -101.47 108.74 20.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' A' ' 60' ' ' GLU . 25.1 ptt180 -110.62 145.1 38.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.714 HD13 ' CD1' ' A' ' 44' ' ' TRP . 7.2 tp -118.66 107.74 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -89.45 113.58 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.421 HG22 HG22 ' A' ' 57' ' ' VAL . 98.7 t -105.51 96.62 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.81 138.2 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 61.02 44.58 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.13 99.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -114.73 176.13 16.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 74' ' ' GLY . 7.8 mp0 -34.47 -66.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.67 -54.69 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.58 -41.05 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.73 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -60.0 122.08 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.41 -126.29 1.01 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -136.22 110.75 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -96.78 133.73 40.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.6 m -125.16 108.93 12.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.1 t -83.72 94.97 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.6 132.76 33.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.481 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -128.48 12.44 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.414 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 122.38 91.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.52 -40.78 2.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -107.15 158.58 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -165.13 124.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD11 ' OE1' ' A' ' 15' ' ' GLN . 10.0 mt -81.82 143.34 31.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.49 134.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -134.18 97.29 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -75.66 115.74 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.7 tp -100.11 123.25 44.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -115.95 140.34 49.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.73 HG23 ' HB2' ' A' ' 78' ' ' ALA . 94.8 t -114.74 147.26 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.43 126.81 52.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.68 -162.6 34.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -110.66 137.6 48.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.1 p -73.91 -42.97 59.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -68.89 144.54 54.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -143.14 165.89 26.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -151.3 138.68 19.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.03 159.09 24.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -126.23 174.72 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -74.94 3.76 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.88 137.64 14.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.79 114.14 27.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 11' ' ' PHE . 40.1 t -87.22 124.84 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.579 HG21 ' H ' ' A' ' 87' ' ' GLY . 29.2 t -98.68 -41.63 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 63.5 m-85 -106.23 176.82 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.549 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . . . -68.37 144.11 54.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -28.81 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -90.68 31.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.549 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 31.3 mm-40 -87.44 136.45 33.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.0 6.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.347 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.81 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CE1' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -167.91 119.03 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.521 ' O ' ' CE1' ' A' ' 18' ' ' HIS . 12.7 mtp180 -99.47 162.7 12.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -124.41 105.01 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.42 142.16 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.82 146.47 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.86 -179.79 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -109.69 165.61 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.12 116.47 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.23 -13.27 68.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.68 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.3 p -122.0 96.76 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.76 171.12 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.4 m -160.56 110.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.16 99.09 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 t -91.95 153.75 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -163.98 134.19 4.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' N ' HE22 ' A' ' 15' ' ' GLN . 13.7 mt-10 -76.84 162.24 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.13 143.06 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.91 41.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -151.36 130.44 12.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.59 -49.22 16.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -58.74 -15.42 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 m -71.82 150.57 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.01 160.99 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' HB2' ' A' ' 85' ' ' ALA . 11.3 m -138.22 169.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 88.6 m -151.95 108.55 3.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.71 ' CD1' HD13 ' A' ' 68' ' ' LEU . 75.2 m95 -67.28 151.33 47.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 50' ' ' LYS . 96.3 m-85 -142.74 121.36 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HB2' HD21 ' A' ' 51' ' ' LEU . 17.1 tttm -94.58 106.04 18.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 t70 62.52 28.63 16.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.54 64.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -102.82 128.76 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . 13.3 ttmm -61.93 107.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 46' ' ' LYS . 29.1 mt -75.78 142.08 42.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -118.56 138.73 52.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -72.28 103.01 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' VAL . 6.0 t -126.76 172.53 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . 1.5 t -36.8 -38.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -77.6 -68.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . 26.1 t -90.47 129.99 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -125.71 124.75 41.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.1 t -91.13 96.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -88.6 136.54 32.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.16 90.02 2.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.732 HG23 ' HB ' ' A' ' 65' ' ' THR . 1.8 m -102.7 -176.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' CYS . . . -40.22 106.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 1.5 p 34.45 54.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.732 ' HB ' HG23 ' A' ' 62' ' ' VAL . 6.4 m -159.78 114.38 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -107.65 102.48 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -108.45 131.57 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 44' ' ' TRP . 5.9 tp -108.75 101.15 10.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -82.71 121.1 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -107.13 95.5 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -67.66 137.44 55.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 60.45 54.2 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.58 110.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' GLN . . . -126.35 169.58 18.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' GLY . 6.8 mm-40 -37.43 -41.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.979 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.66 -52.63 64.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -67.13 -32.01 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.578 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -57.86 125.53 23.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.27 -131.29 1.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -132.7 116.17 16.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -102.29 139.11 38.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 m -126.75 118.24 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.75 91.84 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.72 153.89 28.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.751 ' HB2' HG12 ' A' ' 42' ' ' VAL . . . -174.61 138.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.75 -87.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.579 ' H ' HG21 ' A' ' 10' ' ' VAL . . . -143.63 11.29 2.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -131.05 173.06 11.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -163.86 141.74 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.8 176.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -119.11 149.21 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 91' ' ' SER . 65.4 m-85 -154.27 105.43 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -82.36 127.84 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.3 tp -113.15 120.15 40.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -107.8 154.41 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 78' ' ' ALA . 89.0 t -133.21 138.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.76 90.27 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.74 -152.06 18.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.482 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -144.06 152.47 41.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.67 165.21 25.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -90.09 134.33 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.992 . . . . . . . . 0 0 . 1 stop_ save_